FORMULA: C6H12O6

Canonical SMILES: C(C1C(C(C(C(O1)O)O)O)O)O

PubChem ID: Compound(5793)

InChI Key: WQZGKKKJIJFFOK-GASJEMHNSA-N

FORMULA: C10H15N5O10P2

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(6022)

InChI Key: XTWYTFMLZFPYCI-KQYNXXCUSA-N

FORMULA: C10H15N5O10P2

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(6022)

InChI Key: XTWYTFMLZFPYCI-KQYNXXCUSA-N

FORMULA: C10H16N5O13P3

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(5957)

InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N

FORMULA: C10H16N5O13P3

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(5957)

InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N

FORMULA: C10H16N5O13P3

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(5957)

InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N

FORMULA: C10H15N5O10P2

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(6022)

InChI Key: XTWYTFMLZFPYCI-KQYNXXCUSA-N

FORMULA: C5H5N5

Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)N

PubChem ID: Compound(190)

InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N

FORMULA: C10H13N5O4

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

PubChem ID: Compound(60961)

InChI Key: OIRDTQYFTABQOQ-KQYNXXCUSA-N

FORMULA: C15H22N6O5S

Canonical SMILES: C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

PubChem ID: Compound(34755)

InChI Key: MEFKEPWMEQBLKI-AIRLBKTGSA-N

FORMULA: C15H22N6O5S

Canonical SMILES: C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

PubChem ID: Compound(34755)

InChI Key: MEFKEPWMEQBLKI-AIRLBKTGSA-N

FORMULA: CO2

Canonical SMILES: C(=O)=O

PubChem ID: Compound(280)

InChI Key: CURLTUGMZLYLDI-UHFFFAOYSA-N

FORMULA: CO2

Canonical SMILES: C(=O)=O

PubChem ID: Compound(280)

InChI Key: CURLTUGMZLYLDI-UHFFFAOYSA-N

FORMULA: CO2

Canonical SMILES: C(=O)=O

PubChem ID: Compound(280)

InChI Key: CURLTUGMZLYLDI-UHFFFAOYSA-N

FORMULA: C3H7O6P

Canonical SMILES: C(C(=O)COP(=O)(O)O)O

PubChem ID: Compound(668)

InChI Key: GNGACRATGGDKBX-UHFFFAOYSA-N

FORMULA: O4P

Canonical SMILES: [O-]P(=O)([O-])[O-]

PubChem ID: Compound(1061)

InChI Key: NBIIXXVUZAFLBC-UHFFFAOYSA-K

FORMULA: O4P

Canonical SMILES: [O-]P(=O)([O-])[O-]

PubChem ID: Compound(1061)

InChI Key: NBIIXXVUZAFLBC-UHFFFAOYSA-K

FORMULA: C3H7O6P

Canonical SMILES: C(C(=O)COP(=O)(O)O)O

PubChem ID: Compound(668)

InChI Key: GNGACRATGGDKBX-UHFFFAOYSA-N

FORMULA: C5H6N2O4

Canonical SMILES: C1C(NC(=O)NC1=O)C(=O)O

PubChem ID: Compound(439216)

InChI Key: UFIVEPVSAGBUSI-REOHCLBHSA-N

FORMULA: C5H6N2O4

Canonical SMILES: C1C(NC(=O)NC1=O)C(=O)O

PubChem ID: Compound(439216)

InChI Key: UFIVEPVSAGBUSI-REOHCLBHSA-N

FORMULA: C27H35N9O15P2

Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O

PubChem ID: Compound(446013)

InChI Key: YPZRHBJKEMOYQH-UYBVJOGSSA-N

FORMULA: C27H35N9O15P2

Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O

PubChem ID: Compound(446013)

InChI Key: YPZRHBJKEMOYQH-UYBVJOGSSA-N

FORMULA: C27H33N9O15P2

Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O

PubChem ID: Compound(643975)

InChI Key: VWWQXMAJTJZDQX-UYBVJOGSSA-N

FORMULA: C27H33N9O15P2

Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O

PubChem ID: Compound(643975)

InChI Key: VWWQXMAJTJZDQX-UYBVJOGSSA-N

FORMULA: C4H2O4

Canonical SMILES: C(=CC(=O)[O-])C(=O)[O-]

PubChem ID: Compound(5460307)

InChI Key: VZCYOOQTPOCHFL-OWOJBTEDSA-L

FORMULA: C10H15N5O11P2

Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N

PubChem ID: Compound(8977)

InChI Key: QGWNDRXFNXRZMB-UUOKFMHZSA-N

FORMULA: C10H15N5O11P2

Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N

PubChem ID: Compound(8977)

InChI Key: QGWNDRXFNXRZMB-UUOKFMHZSA-N

FORMULA: C20H32N6O12S2

Canonical SMILES: C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N

PubChem ID: Compound(65359)

InChI Key: YPZRWBKMTBYPTK-BJDJZHNGSA-N

FORMULA: C10H16N5O14P3

Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N

PubChem ID: Compound(6830)

InChI Key: XKMLYUALXHKNFT-UUOKFMHZSA-N

FORMULA: C10H16N5O14P3

Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N

PubChem ID: Compound(6830)

InChI Key: XKMLYUALXHKNFT-UUOKFMHZSA-N

FORMULA: C5H10N2O3

Canonical SMILES: C(CC(=O)N)C(C(=O)O)N

PubChem ID: Compound(5961)

InChI Key: ZDXPYRJPNDTMRX-VKHMYHEASA-N

FORMULA: C3H8O3

Canonical SMILES: C(C(CO)O)O

PubChem ID: Compound(753)

InChI Key: PEDCQBHIVMGVHV-UHFFFAOYSA-N

FORMULA: H2O2

Canonical SMILES: OO

PubChem ID: Compound(784)

InChI Key: MHAJPDPJQMAIIY-UHFFFAOYSA-N

FORMULA: H2O2

Canonical SMILES: OO

PubChem ID: Compound(784)

InChI Key: MHAJPDPJQMAIIY-UHFFFAOYSA-N

FORMULA: H2O

Canonical SMILES: O

PubChem ID: Compound(962)

InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N

FORMULA: H2O

Canonical SMILES: O

PubChem ID: Compound(962)

InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N

FORMULA: H2O

Canonical SMILES: O

PubChem ID: Compound(962)

InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N

FORMULA: H2O

Canonical SMILES: O

PubChem ID: Compound(962)

InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N

FORMULA: CHO3

Canonical SMILES: C(=O)(O)[O-]

PubChem ID: Compound(769)

InChI Key: BVKZGUZCCUSVTD-UHFFFAOYSA-M

FORMULA: CHO3

Canonical SMILES: C(=O)(O)[O-]

PubChem ID: Compound(769)

InChI Key: BVKZGUZCCUSVTD-UHFFFAOYSA-M

FORMULA: H

Canonical SMILES: [H+]

PubChem ID: Compound(1038)

InChI Key: GPRLSGONYQIRFK-UHFFFAOYSA-N

FORMULA: H

Canonical SMILES: [H+]

PubChem ID: Compound(1038)

InChI Key: GPRLSGONYQIRFK-UHFFFAOYSA-N

FORMULA: H

Canonical SMILES: [H+]

PubChem ID: Compound(1038)

InChI Key: GPRLSGONYQIRFK-UHFFFAOYSA-N

FORMULA: H

Canonical SMILES: [H+]

PubChem ID: Compound(1038)

InChI Key: GPRLSGONYQIRFK-UHFFFAOYSA-N

FORMULA: C34H32FeN4O4

Canonical SMILES: CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C)CCC(=O)O)CCC(=O)O.[Fe+2]

PubChem ID: Compound(26945)

InChI Key: KABFMIBPWCXCRK-UHFFFAOYSA-L

FORMULA: C272H248Fe8N32O32

Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N+]4=[Fe])C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)O.CC1=C(C2=CC3=NC(=CC4=C(C(=C([N+]4=[Fe])C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)O.CC1=C(C2=CC3=NC(=CC4=C(C(=C([N+]4=[Fe])C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)O.CC1=C(C2=CC3=NC(=CC4=C(C(=C([N+]4=[Fe])C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)O.CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)CCC(=O)[O-])C)C(=C3C)C=C)C=C.CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)CCC(=O)[O-])C)C(=C3C)C=C)C=C.CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)CCC(=O)[O-])C)C(=C3C)C=C)C=C.CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)CCC(=O)[O-])C)C(=C3C)C=C)C=C.[Fe+5].[Fe+5].[Fe+5].[Fe+5]

PubChem ID: Compound(45479603)

InChI Key: PQLMTURQWQZOKE-UHFFFAOYSA-A

FORMULA: C2974H5692N784O1384S16Fe4

Canonical SMILES: No Canonical SMILES

PubChem ID: 4846 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C5H4N4O

Canonical SMILES: C1=NC2=C(N1)C(=O)N=CN2

PubChem ID: Compound(790)

InChI Key: FDGQSTZJBFJUBT-UHFFFAOYSA-N

FORMULA: C6H13NO2

Canonical SMILES: CC(C)CC(C(=O)O)N

PubChem ID: Compound(6106)

InChI Key: ROHFNLRQFUQHCH-YFKPBYRVSA-N

FORMULA: C4H6O5

Canonical SMILES: C(C(C(=O)O)O)C(=O)O

PubChem ID: Compound(222656)

InChI Key: BJEPYKJPYRNKOW-REOHCLBHSA-N

FORMULA: CO2R

Canonical SMILES: No Canonical SMILES

PubChem ID: No PubChem ID

InChI Key: No InChi Key

FORMULA: C4H8N2O3

Canonical SMILES: C(C(C(=O)O)N)C(=O)N

PubChem ID: Compound(6267)

InChI Key: DCXYFEDJOCDNAF-REOHCLBHSA-N

FORMULA: C9H11NO2

Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)N

PubChem ID: Compound(6140)

InChI Key: COLNVLDHVKWLRT-QMMMGPOBSA-N

FORMULA: C10H17N2O14P3

Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

PubChem ID: Compound(64968)

InChI Key: NHVNXKFIZYSCEB-XLPZGREQSA-N

FORMULA: C2H4

FORMULA: C9H16N3O13P3

Canonical SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

PubChem ID: Compound(65091)

InChI Key: RGWHQCVHVJXOKC-SHYZEUOFSA-N

FORMULA: C10H14N5O7P

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

PubChem ID: Compound(6083)

InChI Key: UDMBCSSLTHHNCD-KQYNXXCUSA-N

FORMULA: CHO2R

Canonical SMILES: No Canonical SMILES

PubChem ID: 3462 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C3H7NO2

Canonical SMILES: CC(C(=O)O)N

PubChem ID: Compound(5950)

InChI Key: QNAYBMKLOCPYGJ-REOHCLBHSA-N

FORMULA: C6H9N3O2

Canonical SMILES: C1=C(NC=N1)CC(C(=O)O)N

PubChem ID: Compound(6274)

InChI Key: HNDVDQJCIGZPNO-YFKPBYRVSA-N

FORMULA: C6H14N2O2

Canonical SMILES: C(CCN)CC(C(=O)O)N

PubChem ID: Compound(5962)

InChI Key: KDXKERNSBIXSRK-YFKPBYRVSA-N

FORMULA: C10H16N5O13P3

Canonical SMILES: C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

PubChem ID: Compound(65103)

InChI Key: HAAZLUGHYHWQIW-KVQBGUIXSA-N

FORMULA: C5H9NO2

Canonical SMILES: C1CC(NC1)C(=O)O

PubChem ID: Compound(145742)

InChI Key: ONIBWKKTOPOVIA-BYPYZUCNSA-N

FORMULA: C16H25N5O15P2

Canonical SMILES: CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O)O

PubChem ID: Compound(439211)

InChI Key: LQEBEXMHBLQMDB-QIXZNPMTSA-N

FORMULA: C5H11NO2

Canonical SMILES: CC(C)C(C(=O)O)N

PubChem ID: Compound(6287)

InChI Key: KZSNJWFQEVHDMF-BYPYZUCNSA-N

FORMULA: C4H7NO4

Canonical SMILES: C(C(C(=O)O)N)C(=O)O

PubChem ID: Compound(5960)

InChI Key: CKLJMWTZIZZHCS-REOHCLBHSA-N

FORMULA: C3H7NO3

Canonical SMILES: C(C(C(=O)O)N)O

PubChem ID: Compound(5951)

InChI Key: MTCFGRXMJLQNBG-REOHCLBHSA-N

FORMULA: C16H25N5O16P2

Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)NC(=NC2=O)N

PubChem ID: Compound(18396)

InChI Key: MVMSCBBUIHUTGJ-GDJBGNAASA-N

FORMULA: C9H16N3O14P3

Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(6176)

InChI Key: PCDQPRRSZKQHHS-XVFCMESISA-N

FORMULA: C3H7NO2S

Canonical SMILES: C(C(C(=O)O)N)S

PubChem ID: Compound(5862)

InChI Key: XUJNEKJLAYXESH-REOHCLBHSA-N

FORMULA: C5H9NO4

Canonical SMILES: C(CC(=O)O)C(C(=O)O)N

PubChem ID: Compound(33032)

InChI Key: WHUUTDBJXJRKMK-VKHMYHEASA-N

FORMULA: C5H11NO2S

Canonical SMILES: CSCCC(C(=O)O)N

PubChem ID: Compound(6137)

InChI Key: FFEARJCKVFRZRR-BYPYZUCNSA-N

FORMULA: C6H14N4O2

Canonical SMILES: C(CC(C(=O)O)N)CN=C(N)N

PubChem ID: Compound(6322)

InChI Key: ODKSFYDXXFIFQN-BYPYZUCNSA-N

FORMULA: C11H12N2O2

Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

PubChem ID: Compound(6305)

InChI Key: QIVBCDIJIAJPQS-VIFPVBQESA-N

FORMULA: C2H5NO2

Canonical SMILES: C(C(=O)O)N

PubChem ID: Compound(750)

InChI Key: DHMQDGOQFOQNFH-UHFFFAOYSA-N

FORMULA: C9H15N2O15P3

Canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(6133)

InChI Key: PGAVKCOVUIYSFO-XVFCMESISA-N

FORMULA: C4H9NO3

Canonical SMILES: CC(C(C(=O)O)N)O

PubChem ID: Compound(6288)

InChI Key: AYFVYJQAPQTCCC-GBXIJSLDSA-N

FORMULA: C10H16N5O12P3

Canonical SMILES: C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

PubChem ID: Compound(15993)

InChI Key: SUYVUBYJARFZHO-RRKCRQDMSA-N

FORMULA: C31163H56842N8763O21601P1602S165R506

FORMULA: C9H11NO3

Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O

PubChem ID: Compound(6057)

InChI Key: OUYCCCASQSFEME-QMMMGPOBSA-N

FORMULA: C6H13NO2

Canonical SMILES: CCC(C)C(C(=O)O)N

PubChem ID: Compound(6306)

InChI Key: AGPKZVBTJJNPAG-WHFBIAKZSA-N

FORMULA: C5H6O5

Canonical SMILES: C(CC(=O)O)C(=O)C(=O)O

PubChem ID: Compound(51)

InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N

FORMULA: C4H6O5

Canonical SMILES: C(C(C(=O)O)O)C(=O)O

PubChem ID: Compound(222656)

InChI Key: BJEPYKJPYRNKOW-REOHCLBHSA-N

FORMULA: C5H6O5

Canonical SMILES: C(CC(=O)O)C(=O)C(=O)O

PubChem ID: Compound(51)

InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N

FORMULA: C21H29N7O14P2

Canonical SMILES: C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O

PubChem ID: Compound(439153)

InChI Key: BOPGDPNILDQYTO-NNYOXOHSSA-N

FORMULA: C21H29N7O14P2

Canonical SMILES: C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O

PubChem ID: Compound(439153)

InChI Key: BOPGDPNILDQYTO-NNYOXOHSSA-N

FORMULA: C21H29N7O14P2

Canonical SMILES: C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O

PubChem ID: Compound(439153)

InChI Key: BOPGDPNILDQYTO-NNYOXOHSSA-N

FORMULA: C21H30N7O17P3

Canonical SMILES: C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O

PubChem ID: Compound(5884)

InChI Key: ACFIXJIJDZMPPO-NNYOXOHSSA-N

FORMULA: C21H30N7O17P3

Canonical SMILES: C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O

PubChem ID: Compound(5884)

InChI Key: ACFIXJIJDZMPPO-NNYOXOHSSA-N

FORMULA: C21H30N7O17P3

Canonical SMILES: C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O

PubChem ID: Compound(5884)

InChI Key: ACFIXJIJDZMPPO-NNYOXOHSSA-N

FORMULA: C21H29N7O17P3

Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O)C(=O)N

PubChem ID: Compound(5886)

InChI Key: XJLXINKUBYWONI-NNYOXOHSSA-O

FORMULA: C21H29N7O17P3

Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O)C(=O)N

PubChem ID: Compound(5886)

InChI Key: XJLXINKUBYWONI-NNYOXOHSSA-O

FORMULA: C21H29N7O17P3

Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O)C(=O)N

PubChem ID: Compound(5886)

InChI Key: XJLXINKUBYWONI-NNYOXOHSSA-O

FORMULA: C21H28N7O14P2

Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N

PubChem ID: Compound(5893)

InChI Key: BAWFJGJZGIEFAR-NNYOXOHSSA-O

FORMULA: C21H28N7O14P2

Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N

PubChem ID: Compound(5893)

InChI Key: BAWFJGJZGIEFAR-NNYOXOHSSA-O

FORMULA: C21H28N7O14P2

Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N

PubChem ID: Compound(5893)

InChI Key: BAWFJGJZGIEFAR-NNYOXOHSSA-O

FORMULA: H3N

Canonical SMILES: N

PubChem ID: Compound(222)

InChI Key: QGZKDVFQNNGYKY-UHFFFAOYSA-N

FORMULA: O2

Canonical SMILES: O=O

PubChem ID: Compound(977)

InChI Key: MYMOFIZGZYHOMD-UHFFFAOYSA-N

FORMULA: C3H7NO2

Canonical SMILES: CC(C(=O)O)N

PubChem ID: Compound(5950)

InChI Key: QNAYBMKLOCPYGJ-REOHCLBHSA-N

FORMULA: C5H9NO2

Canonical SMILES: C1CC(NC1)C(=O)O

PubChem ID: Compound(145742)

InChI Key: ONIBWKKTOPOVIA-BYPYZUCNSA-N

FORMULA: C6H13NO2

Canonical SMILES: CC(C)CC(C(=O)O)N

PubChem ID: Compound(6106)

InChI Key: ROHFNLRQFUQHCH-YFKPBYRVSA-N

FORMULA: C4H8N2O3

Canonical SMILES: C(C(C(=O)O)N)C(=O)N

PubChem ID: Compound(6267)

InChI Key: DCXYFEDJOCDNAF-REOHCLBHSA-N

FORMULA: C6H9N3O2

Canonical SMILES: C1=C(NC=N1)CC(C(=O)O)N

PubChem ID: Compound(6274)

InChI Key: HNDVDQJCIGZPNO-YFKPBYRVSA-N

FORMULA: C4H7NO4

Canonical SMILES: C(C(C(=O)O)N)C(=O)O

PubChem ID: Compound(5960)

InChI Key: CKLJMWTZIZZHCS-REOHCLBHSA-N

FORMULA: C4H9NO3

Canonical SMILES: CC(C(C(=O)O)N)O

PubChem ID: Compound(6288)

InChI Key: AYFVYJQAPQTCCC-GBXIJSLDSA-N

FORMULA: C5H10N2O3

Canonical SMILES: C(CC(=O)N)C(C(=O)O)N

PubChem ID: Compound(5961)

InChI Key: ZDXPYRJPNDTMRX-VKHMYHEASA-N

FORMULA: C3H7NO2S

Canonical SMILES: C(C(C(=O)O)N)S

PubChem ID: Compound(5862)

InChI Key: XUJNEKJLAYXESH-REOHCLBHSA-N

FORMULA: C6H14N2O2

Canonical SMILES: C(CCN)CC(C(=O)O)N

PubChem ID: Compound(5962)

InChI Key: KDXKERNSBIXSRK-YFKPBYRVSA-N

FORMULA: C5H11NO2

Canonical SMILES: CC(C)C(C(=O)O)N

PubChem ID: Compound(6287)

InChI Key: KZSNJWFQEVHDMF-BYPYZUCNSA-N

FORMULA: C5H9NO4

Canonical SMILES: C(CC(=O)O)C(C(=O)O)N

PubChem ID: Compound(33032)

InChI Key: WHUUTDBJXJRKMK-VKHMYHEASA-N

FORMULA: C11H12N2O2

Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

PubChem ID: Compound(6305)

InChI Key: QIVBCDIJIAJPQS-VIFPVBQESA-N

FORMULA: C3H7NO3

Canonical SMILES: C(C(C(=O)O)N)O

PubChem ID: Compound(5951)

InChI Key: MTCFGRXMJLQNBG-REOHCLBHSA-N

FORMULA: C2974H5692N784O1392S16Fe4

Canonical SMILES: No Canonical SMILES

PubChem ID: 8076 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C9H11NO3

Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O

PubChem ID: Compound(6057)

InChI Key: OUYCCCASQSFEME-QMMMGPOBSA-N

FORMULA: C6H14N4O2

Canonical SMILES: C(CC(C(=O)O)N)CN=C(N)N

PubChem ID: Compound(6322)

InChI Key: ODKSFYDXXFIFQN-BYPYZUCNSA-N

FORMULA: O2

Canonical SMILES: [O-][O]

PubChem ID: Compound(5359597)

InChI Key: OUUQCZGPVNCOIJ-UHFFFAOYSA-M

FORMULA: C2H5NO2

Canonical SMILES: C(C(=O)O)N

PubChem ID: Compound(750)

InChI Key: DHMQDGOQFOQNFH-UHFFFAOYSA-N

FORMULA: C9H11NO2

Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)N

PubChem ID: Compound(6140)

InChI Key: COLNVLDHVKWLRT-QMMMGPOBSA-N

FORMULA: C5H11NO2S

Canonical SMILES: CSCCC(C(=O)O)N

PubChem ID: Compound(6137)

InChI Key: FFEARJCKVFRZRR-BYPYZUCNSA-N

FORMULA: C5H4N2O4

Canonical SMILES: C1=C(NC(=O)NC1=O)C(=O)O

PubChem ID: Compound(967)

InChI Key: PXQPEWDEAKTCGB-UHFFFAOYSA-N

FORMULA: C5H4N2O4

Canonical SMILES: C1=C(NC(=O)NC1=O)C(=O)O

PubChem ID: Compound(967)

InChI Key: PXQPEWDEAKTCGB-UHFFFAOYSA-N

FORMULA: O2

Canonical SMILES: O=O

PubChem ID: Compound(977)

InChI Key: MYMOFIZGZYHOMD-UHFFFAOYSA-N

FORMULA: C3H5O6P

Canonical SMILES: C=C(C(=O)O)OP(=O)(O)O

PubChem ID: Compound(1005)

InChI Key: DTBNBXWJWCWCIK-UHFFFAOYSA-N

FORMULA: C3H5O6P

Canonical SMILES: C=C(C(=O)O)OP(=O)(O)O

PubChem ID: Compound(1005)

InChI Key: DTBNBXWJWCWCIK-UHFFFAOYSA-N

FORMULA: O7P2

Canonical SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-]

PubChem ID: Compound(644102)

InChI Key: XPPKVPWEQAFLFU-UHFFFAOYSA-J

FORMULA: O4P

Canonical SMILES: [O-]P(=O)([O-])[O-]

PubChem ID: Compound(1061)

InChI Key: NBIIXXVUZAFLBC-UHFFFAOYSA-K

FORMULA: C2H4

Canonical SMILES: No Canonical SMILES

PubChem ID: No PubChem ID

InChI Key: No InChi Key

FORMULA: C21H36N7O16P3S

Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O

PubChem ID: Compound(87642)

InChI Key: RGJOEKWQDUBAIZ-IBOSZNHHSA-N

FORMULA: C24H38N7O19P3S

Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O

PubChem ID: Compound(644066)

InChI Key: LTYOQGRJFJAKNA-DVVLENMVSA-N

FORMULA: C3H6O3

Canonical SMILES: CC(C(=O)O)O

PubChem ID: Compound(107689)

InChI Key: JVTAAEKCZFNVCJ-REOHCLBHSA-N

FORMULA: CH4N2O

Canonical SMILES: C(=O)(N)N

PubChem ID: Compound(1176)

InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N

FORMULA: C10H17N3O6S

Canonical SMILES: C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N

PubChem ID: Compound(124886)

InChI Key: RWSXRVCMGQZWBV-WDSKDSINSA-N

FORMULA: C12H18N4O7P2S

Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-]

PubChem ID: Compound(5431)

InChI Key: AYEKOFBPNLCAJY-UHFFFAOYSA-N

FORMULA: C14H23N4O8P2S

Canonical SMILES: CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O

PubChem ID: Compound(440568)

InChI Key: RRUVJGASJONMDY-UHFFFAOYSA-O

FORMULA: C3H3O3

Canonical SMILES: CC(=O)C(=O)[O-]

PubChem ID: Compound(107735)

InChI Key: LCTONWCANYUPML-UHFFFAOYSA-M

FORMULA: C10H12N5O6P

Canonical SMILES: C1C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O1)O

PubChem ID: Compound(6076)

InChI Key: IVOMOUWHDPKRLL-KQYNXXCUSA-N

FORMULA: CH4NO5P

Canonical SMILES: C(=O)(N)OP(=O)(O)O

PubChem ID: Compound(278)

InChI Key: FFQKYPRQEYGKAF-UHFFFAOYSA-N

FORMULA: C9H14N2O12P2

Canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(6031)

InChI Key: XCCTYIAWTASOJW-XVFCMESISA-N

FORMULA: C9H13N2O9P

Canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O

PubChem ID: Compound(6030)

InChI Key: DJJCXFVJDGTHFX-XVFCMESISA-N

FORMULA: C8H10NO6P

Canonical SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O

PubChem ID: Compound(1051)

InChI Key: NGVDGCNFYWLIFO-UHFFFAOYSA-N

FORMULA: C8H9NO3

Canonical SMILES: CC1=NC=C(C(=C1O)C=O)CO

PubChem ID: Compound(1050)

InChI Key: RADKZDMFGJYCBB-UHFFFAOYSA-N

FORMULA: C14H23N6O3S

Canonical SMILES: C[S+](CCCN)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

PubChem ID: Compound(439415)

InChI Key: ZUNBITIXDCPNSD-LSRJEVITSA-N

FORMULA: C10H13N4O8P

Canonical SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O

PubChem ID: Compound(8582)

InChI Key: GRSZFWQUAKGDAV-KQYNXXCUSA-N

FORMULA: C21H36N7O16P3S

Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O

PubChem ID: Compound(87642)

InChI Key: RGJOEKWQDUBAIZ-IBOSZNHHSA-N

FORMULA: C2H3O2

Canonical SMILES: CC(=O)[O-]

PubChem ID: Compound(175)

InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-M

FORMULA: C23H38N7O17P3S

Canonical SMILES: CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

PubChem ID: Compound(444493)

InChI Key: ZSLZBFCDCINBPY-ZSJPKINUSA-N

FORMULA: C21H27N6O15P2

Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)O

PubChem ID: Compound(165491)

InChI Key: SENPVEZBRZQVST-HISDBWNOSA-O

FORMULA: C6H8O7

Canonical SMILES: C(C(C(C(=O)O)O)C(=O)O)C(=O)O

PubChem ID: Compound(1198)

InChI Key: ODBLHEXUDAPZAU-UHFFFAOYSA-N

FORMULA: C8H13N2O5P

Canonical SMILES: CC1=NC=C(C(=C1O)CN)COP(=O)(O)O

PubChem ID: Compound(1053)

InChI Key: ZMJGSOSNSPKHNH-UHFFFAOYSA-N

FORMULA: C8H12NO6P

Canonical SMILES: CC1=NC=C(C(=C1O)CO)COP(=O)(O)O

PubChem ID: Compound(1055)

InChI Key: WHOMFKWHIQZTHY-UHFFFAOYSA-N

FORMULA: C34H34N4O4

Canonical SMILES: CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C=C)C)C=C

PubChem ID: Compound(4971)

InChI Key: ZCFFYALKHPIRKJ-UHFFFAOYSA-N

FORMULA: C34H32FeN4O4

Canonical SMILES: CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C)CCC(=O)O)CCC(=O)O.[Fe+2]

PubChem ID: Compound(26945)

InChI Key: KABFMIBPWCXCRK-UHFFFAOYSA-L

FORMULA: Fe

Canonical SMILES: [Fe+2]

PubChem ID: Compound(27284)

InChI Key: CWYNVVGOOAEACU-UHFFFAOYSA-N

FORMULA: C10H14N5O8P

Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N

PubChem ID: Compound(6804)

InChI Key: RQFCJASXJCIDSX-UUOKFMHZSA-N

FORMULA: C4H4O5

Canonical SMILES: C(C(=O)C(=O)O)C(=O)O

PubChem ID: Compound(970)

InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N

FORMULA: C4H4O5

Canonical SMILES: C(C(=O)C(=O)O)C(=O)O

PubChem ID: Compound(970)

InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N

FORMULA: C6H8O7

Canonical SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O

PubChem ID: Compound(311)

InChI Key: KRKNYBCHXYNGOX-UHFFFAOYSA-N

FORMULA: C21H36N7O16P3S

Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O

PubChem ID: Compound(87642)

InChI Key: RGJOEKWQDUBAIZ-IBOSZNHHSA-N

FORMULA: C23H38N7O17P3S

Canonical SMILES: CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

PubChem ID: Compound(444493)

InChI Key: ZSLZBFCDCINBPY-ZSJPKINUSA-N

FORMULA: C4H4O4

Canonical SMILES: C(CC(=O)[O-])C(=O)[O-]

PubChem ID: Compound(160419)

InChI Key: KDYFGRWQOYBRFD-UHFFFAOYSA-L

FORMULA: C25H40N7O19P3S

Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O

PubChem ID: Compound(92133)

InChI Key: VNOYUJKHFWYWIR-ITIYDSSPSA-N

FORMULA: C4H2O4

Canonical SMILES: C(=CC(=O)[O-])C(=O)[O-]

PubChem ID: Compound(5460307)

InChI Key: VZCYOOQTPOCHFL-OWOJBTEDSA-L

FORMULA: C10H15N5O11P2

Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N

PubChem ID: Compound(8977)

InChI Key: QGWNDRXFNXRZMB-UUOKFMHZSA-N

FORMULA: C10H16N5O14P3

Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N

PubChem ID: Compound(6830)

InChI Key: XKMLYUALXHKNFT-UUOKFMHZSA-N

FORMULA: C10H12N5O7P

Canonical SMILES: C1C2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O1)O

PubChem ID: Compound(24316)

InChI Key: ZOOGRGPOEVQQDX-UUOKFMHZSA-N

FORMULA: C5H14N2

Canonical SMILES: C(CCN)CCN

PubChem ID: Compound(273)

InChI Key: VHRGRCVQAFMJIZ-UHFFFAOYSA-N

FORMULA: C8H14N2O5S

Canonical SMILES: C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N

PubChem ID: Compound(123938)

InChI Key: RITKHVBHSGLULN-WHFBIAKZSA-N

FORMULA: C9H15N3O11P2

Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(6132)

InChI Key: ZWIADYZPOWUWEW-XVFCMESISA-N

FORMULA: C3H7O7P

Canonical SMILES: C(C(C(=O)O)OP(=O)(O)O)O

PubChem ID: Compound(439278)

InChI Key: GXIURPTVHJPJLF-UWTATZPHSA-N

FORMULA: C9H8O3

Canonical SMILES: C1=CC=C(C=C1)CC(=O)C(=O)O

PubChem ID: Compound(997)

InChI Key: BTNMPGBKDVTSJY-UHFFFAOYSA-N

FORMULA: C3H3O3

Canonical SMILES: CC(=O)C(=O)[O-]

PubChem ID: Compound(107735)

InChI Key: LCTONWCANYUPML-UHFFFAOYSA-M

FORMULA: C11H20N2O6

Canonical SMILES: C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N

PubChem ID: Compound(160556)

InChI Key: ZDGJAHTZVHVLOT-YUMQZZPRSA-N

FORMULA: C9H8O4

Canonical SMILES: C1=CC(=CC=C1CC(=O)C(=O)O)O

PubChem ID: Compound(979)

InChI Key: KKADPXVIOXHVKN-UHFFFAOYSA-N

FORMULA: C23H38N7O17P3S

Canonical SMILES: CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

PubChem ID: Compound(444493)

InChI Key: ZSLZBFCDCINBPY-ZSJPKINUSA-N

FORMULA: C6H13O9P

Canonical SMILES: C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O

PubChem ID: Compound(439160)

InChI Key: BGWGXPAPYGQALX-VRPWFDPXSA-N

FORMULA: C6H12O6

Canonical SMILES: C1C(C(C(C(O1)(CO)O)O)O)O

PubChem ID: Compound(2723872)

InChI Key: LKDRXBCSQODPBY-VRPWFDPXSA-N

FORMULA: C5H9NO3

Canonical SMILES: C(CC(=O)O)C(=O)CN

PubChem ID: Compound(137)

InChI Key: ZGXJTSGNIOSYLO-UHFFFAOYSA-N

FORMULA: C2H5NO2

Canonical SMILES: C(C(=O)O)N

PubChem ID: Compound(750)

InChI Key: DHMQDGOQFOQNFH-UHFFFAOYSA-N

FORMULA: C3H9O6P

Canonical SMILES: C(C(COP(=O)(O)O)O)O

PubChem ID: Compound(439162)

InChI Key: AWUCVROLDVIAJX-GSVOUGTGSA-N

FORMULA: C3H9O6P

Canonical SMILES: C(C(COP(=O)(O)O)O)O

PubChem ID: Compound(439162)

InChI Key: AWUCVROLDVIAJX-GSVOUGTGSA-N

FORMULA: C3H7O6P

Canonical SMILES: C(C(=O)COP(=O)(O)O)O

PubChem ID: Compound(668)

InChI Key: GNGACRATGGDKBX-UHFFFAOYSA-N

FORMULA: C3H9O6P

Canonical SMILES: C(C(COP(=O)(O)O)O)O

PubChem ID: Compound(439162)

InChI Key: AWUCVROLDVIAJX-GSVOUGTGSA-N

FORMULA: C6H13O9P

Canonical SMILES: C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O

PubChem ID: Compound(644175)

InChI Key: HXXFSFRBOHSIMQ-QTVWNMPRSA-N

FORMULA: C16H23N5O15P2

Canonical SMILES: CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O

PubChem ID: Compound(439446)

InChI Key: PNHLMHWWFOPQLK-BKUUWRAGSA-N

FORMULA: C19H21N7O6

Canonical SMILES: C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

PubChem ID: Compound(98792)

InChI Key: OZRNSSUDZOLUSN-LBPRGKRZSA-N

FORMULA: C19H23N7O6

Canonical SMILES: C1C(NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

PubChem ID: Compound(91443)

InChI Key: MSTNYGQPCMXVAQ-KIYNQFGBSA-N

FORMULA: C20H23N7O6

Canonical SMILES: C1C2CN(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

PubChem ID: Compound(439175)

InChI Key: QYNUQALWYRSVHF-PZORYLMUSA-N

FORMULA: C10H13N2O11P

Canonical SMILES: C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O

PubChem ID: Compound(160617)

InChI Key: KYOBSHFOBAOFBF-XVFCMESISA-N

FORMULA: C3H7O6P

Canonical SMILES: C(C(C=O)O)OP(=O)(O)O

PubChem ID: Compound(439168)

InChI Key: LXJXRIRHZLFYRP-VKHMYHEASA-N

FORMULA: C5H14NO

Canonical SMILES: C[N+](C)(C)CCO

PubChem ID: Compound(305)

InChI Key: OEYIOHPDSNJKLS-UHFFFAOYSA-N

FORMULA: C5H15NO4P

Canonical SMILES: C[N+](C)(C)CCOP(=O)(O)O

PubChem ID: Compound(1014)

InChI Key: YHHSONZFOIEMCP-UHFFFAOYSA-O

FORMULA: C8H20NO6P

Canonical SMILES: C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O

PubChem ID: Compound(657272)

InChI Key: SUHOQUVVVLNYQR-MRVPVSSYSA-N

FORMULA: C3H6O3

Canonical SMILES: C(C(C=O)O)O

PubChem ID: Compound(79014)

InChI Key: MNQZXJOMYWMBOU-VKHMYHEASA-N

FORMULA: C5H13O14P3

Canonical SMILES: C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O

PubChem ID: Compound(7339)

InChI Key: PQGCEDQWHSBAJP-TXICZTDVSA-N

FORMULA: C5H11O8P

Canonical SMILES: C(C(C(C(C=O)O)O)O)OP(=O)(O)O

PubChem ID: Compound(77982)

InChI Key: PPQRONHOSHZGFQ-LMVFSUKVSA-N

FORMULA: C5H11O8P

Canonical SMILES: C(C(C(C(=O)CO)O)O)OP(=O)(O)O

PubChem ID: Compound(439184)

InChI Key: FNZLKVNUWIIPSJ-UHNVWZDZSA-N

FORMULA: C5H11O8P

Canonical SMILES: C(C1C(C(C(O1)OP(=O)(O)O)O)O)O

PubChem ID: Compound(439236)

InChI Key: YXJDFQJKERBOBM-TXICZTDVSA-N

FORMULA: C14H18N5O11P

Canonical SMILES: C1=NC2=C(C(=N1)NC(CC(=O)O)C(=O)O)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

PubChem ID: Compound(447145)

InChI Key: OFBHPPMPBOJXRT-VWJPMABRSA-N

FORMULA: C6H10O3

Canonical SMILES: CC(C)CC(=O)C(=O)O

PubChem ID: Compound(70)

InChI Key: BKAJNAXTPSGJCU-UHFFFAOYSA-N

FORMULA: C10H12N4O5

Canonical SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O

PubChem ID: Compound(6021)

InChI Key: UGQMRVRMYYASKQ-KQYNXXCUSA-N

FORMULA: C10H13N4O9P

Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=O)NC2=O

PubChem ID: Compound(73323)

InChI Key: DCTLYFZHFGENCW-UUOKFMHZSA-N

FORMULA: C10H15N5O9P2

Canonical SMILES: C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)O)O

PubChem ID: Compound(188966)

InChI Key: DAEAPNUQQAICNR-RRKCRQDMSA-N

FORMULA: C6H13O9P

Canonical SMILES: C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O

PubChem ID: Compound(440194)

InChI Key: INAPMGSXUVUWAF-LXOASSSBSA-N

FORMULA: C6H12O6

Canonical SMILES: C1(C(C(C(C(C1O)O)O)O)O)O

PubChem ID: Compound(892)

InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N

FORMULA: C5H8O3

Canonical SMILES: CC(C)C(=O)C(=O)O

PubChem ID: Compound(49)

InChI Key: QHKABHOOEWYVLI-UHFFFAOYSA-N

FORMULA: C25H42N7O17P3S

Canonical SMILES: CC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

PubChem ID: Compound(3036931)

InChI Key: AEWHYWSPVRZHCT-NDZSKPAWSA-N

FORMULA: C5H8O3

Canonical SMILES: CC(C)C(=O)C(=O)O

PubChem ID: Compound(49)

InChI Key: QHKABHOOEWYVLI-UHFFFAOYSA-N

FORMULA: C20H22N7O6

Canonical SMILES: C1C2CN(C=[N+]2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

PubChem ID: Compound(439237)

InChI Key: MEANFMOQMXYMCT-ABLWVSNPSA-O

FORMULA: C5H5N5O

Canonical SMILES: C1=NC2=C(N1)C(=O)N=C(N2)N

PubChem ID: Compound(764)

InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N

FORMULA: C6H6N2O

Canonical SMILES: C1=CC(=CN=C1)C(=O)N

PubChem ID: Compound(936)

InChI Key: DFPAKSUCGFBDDF-UHFFFAOYSA-N

FORMULA: C6H5NO2

Canonical SMILES: C1=CC(=CN=C1)C(=O)O

PubChem ID: Compound(938)

InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N

FORMULA: C37H66N7O17P3S

Canonical SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

PubChem ID: Compound(644109)

InChI Key: MNBKLUUYKPBKDU-BBECNAHFSA-N

FORMULA: C18H37NO2

Canonical SMILES: CCCCCCCCCCCCCCCC(=O)C(CO)N

PubChem ID: Compound(439853)

InChI Key: KBUNOSOGGAARKZ-KRWDZBQOSA-N

FORMULA: C6H6O6

Canonical SMILES: C(C(=CC(=O)O)C(=O)O)C(=O)O

PubChem ID: Compound(643757)

InChI Key: GTZCVFVGUGFEME-IWQZZHSRSA-N

FORMULA: C6H13O9P

Canonical SMILES: C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O

PubChem ID: Compound(65127)

InChI Key: NBSCHQHZLSJFNQ-QTVWNMPRSA-N

FORMULA: C6H12O6

Canonical SMILES: C(C1C(C(C(C(O1)O)O)O)O)O

PubChem ID: Compound(18950)

InChI Key: WQZGKKKJIJFFOK-QTVWNMPRSA-N

FORMULA: C4H7O4R

Canonical SMILES: C(C(CO)OC=O)O

PubChem ID: Compound(17756737)

InChI Key: LDVVTQMJQSCDMK-UHFFFAOYSA-N

FORMULA: C5H8N2O5

Canonical SMILES: C(C(C(=O)O)NC(=O)N)C(=O)O

PubChem ID: Compound(93072)

InChI Key: HLKXYZVTANABHZ-REOHCLBHSA-N

FORMULA: C2H8NO4P

Canonical SMILES: C(COP(=O)(O)O)N

PubChem ID: Compound(1015)

InChI Key: SUHOOTKUPISOBE-UHFFFAOYSA-N

FORMULA: C2H7NO

Canonical SMILES: C(CO)N

PubChem ID: Compound(700)

InChI Key: HZAXFHJVJLSVMW-UHFFFAOYSA-N

FORMULA: C5H14NO6P

Canonical SMILES: C(COP(=O)(O)OCC(CO)O)N

PubChem ID: Compound(444183)

InChI Key: JZNWSCPGTDBMEW-RXMQYKEDSA-N

FORMULA: C25H46NO8R

Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC=O)O

PubChem ID: Compound(53477559)

InChI Key: BYWLNTJDYHPXFR-RASHCRKMSA-N

FORMULA: C15H24N2O17P2

Canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O

PubChem ID: Compound(8629)

InChI Key: HSCJRCZFDFQWRP-JZMIEXBBSA-N

FORMULA: C19H36NO3R

Canonical SMILES: No Canonical SMILES

PubChem ID: 3495 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C3H7O7P

Canonical SMILES: C(C(C(=O)O)O)OP(=O)(O)O

PubChem ID: Compound(439183)

InChI Key: OSJPPGNTCRNQQC-UWTATZPHSA-N

FORMULA: C3H8O10P2

Canonical SMILES: C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O

PubChem ID: Compound(439191)

InChI Key: LJQLQCAXBUHEAZ-UWTATZPHSA-N

FORMULA: C6H13O10P

Canonical SMILES: C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O

PubChem ID: Compound(91493)

InChI Key: BIRSGZKFKXLSJQ-SQOUGZDYSA-N

FORMULA: C5H11O8P

Canonical SMILES: C(C(C(C(=O)CO)O)O)OP(=O)(O)O

PubChem ID: Compound(439190)

InChI Key: FNZLKVNUWIIPSJ-RFZPGFLSSA-N

FORMULA: C6H13O9P

Canonical SMILES: C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O

PubChem ID: Compound(5958)

InChI Key: NBSCHQHZLSJFNQ-GASJEMHNSA-N

FORMULA: C20H23N7O7

Canonical SMILES: C1C(NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

PubChem ID: Compound(6326742)

InChI Key: AUFGTPPARQZWDO-YPMHNXCESA-N

FORMULA: C10H10O6

Canonical SMILES: C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O

PubChem ID: Compound(12039)

InChI Key: WTFXTQVDAKGDEY-HTQZYQBOSA-N

FORMULA: C10H9O10P

Canonical SMILES: C=C(C(=O)[O-])OC1CC(=CC(C1O)OP(=O)([O-])[O-])C(=O)[O-]

PubChem ID: Compound(14506801)

InChI Key: QUTYKIXIUDQOLK-PRJMDXOYSA-J

FORMULA: C10H11NO5

Canonical SMILES: C=C(C(=O)O)OC1C=C(C=CC1N)C(=O)O

PubChem ID: Compound(443142)

InChI Key: OIUJHGOLFKDBSU-HTQZYQBOSA-N

FORMULA: C13H21N3O8S

Canonical SMILES: CC(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O

PubChem ID: Compound(440018)

InChI Key: VDYDCVUWILIYQF-CSMHCCOUSA-N

FORMULA: C10H15N5O10P2

Canonical SMILES: C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)O)O

PubChem ID: Compound(439220)

InChI Key: CIKGWCTVFSRMJU-KVQBGUIXSA-N

FORMULA: C14H26N4O11P2

Canonical SMILES: C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O

PubChem ID: Compound(13804)

InChI Key: RZZPDXZPRHQOCG-OJAKKHQRSA-N

FORMULA: C8H11NO3

Canonical SMILES: CC1=NC=C(C(=C1O)CO)CO

PubChem ID: Compound(1054)

InChI Key: LXNHXLLTXMVWPM-UHFFFAOYSA-N

FORMULA: C11H15N5O3S

Canonical SMILES: CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

PubChem ID: Compound(439176)

InChI Key: WUUGFSXJNOTRMR-IOSLPCCCSA-N

FORMULA: C4H12N2

Canonical SMILES: C(CCN)CN

PubChem ID: Compound(1045)

InChI Key: KIDHWZJUCRJVML-UHFFFAOYSA-N

FORMULA: C7H19N3

Canonical SMILES: C(CCNCCCN)CN

PubChem ID: Compound(1102)

InChI Key: ATHGHQPFGPMSJY-UHFFFAOYSA-N

FORMULA: C6H11O9P

Canonical SMILES: C(C1C(C(C(C(=O)O1)O)O)O)OP(=O)(O)O

PubChem ID: Compound(439452)

InChI Key: IJOJIVNDFQSGAB-SQOUGZDYSA-N

FORMULA: C3H10NO4P

Canonical SMILES: CNCCOP(=O)(O)O

PubChem ID: Compound(439436)

InChI Key: HZDCAHRLLXEQFY-UHFFFAOYSA-N

FORMULA: C14H20N6O5S

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSCCC(C(=O)O)N)O)O

PubChem ID: Compound(439155)

InChI Key: ZJUKTBDSGOFHSH-WFMPWKQPSA-N

FORMULA: C11H20N4O11P2

Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCCN)O)O

PubChem ID: Compound(123727)

InChI Key: WVIMUEUQJFPNDK-PEBGCTIMSA-N

FORMULA: C10H15N2O8P

Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O

PubChem ID: Compound(9700)

InChI Key: GYOZYWVXFNDGLU-XLPZGREQSA-N

FORMULA: C10H16N2O11P2

Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)O

PubChem ID: Compound(164628)

InChI Key: UJLXYODCHAELLY-XLPZGREQSA-N

FORMULA: C9H13N2O8P

Canonical SMILES: C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O

PubChem ID: Compound(65063)

InChI Key: JSRLJPSBLDHEIO-SHYZEUOFSA-N

FORMULA: C9H14N2O11P2

Canonical SMILES: C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O

PubChem ID: Compound(145729)

InChI Key: QHWZTVCCBMIIKE-SHYZEUOFSA-N

FORMULA: C9H15N2O14P3

Canonical SMILES: C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

PubChem ID: Compound(65070)

InChI Key: AHCYMLUZIRLXAA-SHYZEUOFSA-N

FORMULA: C5H4N4O2

Canonical SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

PubChem ID: Compound(1188)

InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N

FORMULA: C9H15N3O10P2

Canonical SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O

PubChem ID: Compound(150855)

InChI Key: FTDHDKPUHBLBTL-SHYZEUOFSA-N

FORMULA: C7H10O5

Canonical SMILES: C1C(C(C(C=C1C(=O)O)O)O)O

PubChem ID: Compound(8742)

InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-N

FORMULA: C7H11O8P

Canonical SMILES: C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O

PubChem ID: Compound(121947)

InChI Key: QYOJSKGCWNAKGW-PBXRRBTRSA-N

FORMULA: C8H12N2O2

Canonical SMILES: CC1=NC=C(C(=C1O)CN)CO

PubChem ID: Compound(1052)

InChI Key: NHZMQXZHNVQTQA-UHFFFAOYSA-N

FORMULA: C3H4O2

Canonical SMILES: CC(=O)C=O

PubChem ID: Compound(880)

InChI Key: AIJULSRZWUXGPQ-UHFFFAOYSA-N

FORMULA: C3H6O2

Canonical SMILES: CC(C=O)O

PubChem ID: Compound(855)

InChI Key: BSABBBMNWQWLLU-UHFFFAOYSA-N

FORMULA: C24H49N2O6PR

Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)NC=O)O

PubChem ID: Compound(44176376)

InChI Key: LRYZPFWEZHSTHD-HEFFAWAOSA-O

FORMULA: C3H8O2

Canonical SMILES: CC(CO)O

PubChem ID: Compound(1030)

InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N

FORMULA: C9H20NO7PR

Canonical SMILES: C[N+](C)(C)CCOP(=O)(O)OCC(COC=O)O

PubChem ID: Compound(24798684)

InChI Key: YWDSJNDDNINOJM-SECBINFHSA-O

FORMULA: C10H26N4

Canonical SMILES: C(CCNCCCN)CNCCCN

PubChem ID: Compound(1103)

InChI Key: PFNFFQXMRSDOHW-UHFFFAOYSA-N

FORMULA: C18H39NO2

Canonical SMILES: CCCCCCCCCCCCCCCC(C(CO)N)O

PubChem ID: Compound(91486)

InChI Key: OTKJDMGTUTTYMP-ZWKOTPCHSA-N

FORMULA: C11H15NO9P

Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O

PubChem ID: Compound(121992)

InChI Key: JOUIQRNQJGXQDC-ZYUZMQFOSA-O

FORMULA: C21H35N7O13P2S

Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)C(C(=O)NCCC(=O)NCCS)O

PubChem ID: Compound(444485)

InChI Key: KDTSHFARGAKYJN-IBOSZNHHSA-N

FORMULA: C11H23N2O7PS

Canonical SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O

PubChem ID: Compound(987)

InChI Key: JDMUPRLRUUMCTL-UHFFFAOYSA-N

FORMULA: C7H6NO2

Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])N

PubChem ID: Compound(4876)

InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-M

FORMULA: C7H11N5O8P2

Canonical SMILES: C1C(=NC2=C(N1)NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O

PubChem ID: Compound(666)

InChI Key: FCQGJGLSOWZZON-UHFFFAOYSA-N

FORMULA: C14H14N6O3

Canonical SMILES: C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)O

PubChem ID: Compound(170)

InChI Key: WBFYVDCHGVNRBH-UHFFFAOYSA-N

FORMULA: C36H44N4O8

Canonical SMILES: CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)C

PubChem ID: Compound(321)

InChI Key: NIUVHXTXUXOFEB-UHFFFAOYSA-N

FORMULA: C34H40N4O4

Canonical SMILES: CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)CCC(=O)O)C)C=C)C)C=C)C

PubChem ID: Compound(121893)

InChI Key: UHSGPDMIQQYNAX-UHFFFAOYSA-N

FORMULA: O2

Canonical SMILES: O=O

PubChem ID: Compound(977)

InChI Key: MYMOFIZGZYHOMD-UHFFFAOYSA-N

FORMULA: H2O2

Canonical SMILES: OO

PubChem ID: Compound(784)

InChI Key: MHAJPDPJQMAIIY-UHFFFAOYSA-N

FORMULA: C34H40N4O4

Canonical SMILES: CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)CCC(=O)O)C)C=C)C)C=C)C

PubChem ID: Compound(121893)

InChI Key: UHSGPDMIQQYNAX-UHFFFAOYSA-N

FORMULA: C12H23N2O9PS

Canonical SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NC(CS)C(=O)O)O

PubChem ID: Compound(440304)

InChI Key: XQYALQVLCNHCFT-CBAPKCEASA-N

FORMULA: C5H13O7P

Canonical SMILES: CC(CO)(C(COP(=O)(O)O)O)O

PubChem ID: Compound(443198)

InChI Key: XMWHRVNVKDKBRG-UHNVWZDZSA-N

FORMULA: C9H16N3O14P3

Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(6176)

InChI Key: PCDQPRRSZKQHHS-XVFCMESISA-N

FORMULA: O7P2

Canonical SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-]

PubChem ID: Compound(644102)

InChI Key: XPPKVPWEQAFLFU-UHFFFAOYSA-J

FORMULA: C14H25N3O14P2

Canonical SMILES: CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)O

PubChem ID: Compound(443199)

InChI Key: YFAUKWZNPVBCFF-XHIBXCGHSA-N

FORMULA: C14H26N3O17P3

Canonical SMILES: CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O

PubChem ID: Compound(443200)

InChI Key: HTJXTKBIUVFUAR-XHIBXCGHSA-N

FORMULA: C9H14N3O8P

Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O

PubChem ID: Compound(6131)

InChI Key: IERHLVCPSMICTF-XVFCMESISA-N

FORMULA: C5H12O9P2

Canonical SMILES: CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO

PubChem ID: Compound(126747)

InChI Key: SFRQRNJMIIUYDI-UHNVWZDZSA-N

FORMULA: C5H11O7P

Canonical SMILES: CC(=O)C(C(COP(=O)(O)O)O)O

PubChem ID: Compound(443201)

InChI Key: AJPADPZSRRUGHI-RFZPGFLSSA-N

FORMULA: C4H12NO4P

Canonical SMILES: CN(C)CCOP(=O)(O)O

PubChem ID: Compound(151438)

InChI Key: BLHVJAAEHMLMOI-UHFFFAOYSA-N

FORMULA: C10H14N4O4S2R4

Canonical SMILES: No Canonical SMILES

PubChem ID: 3635 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C10H12N4O4S2R4

Canonical SMILES: No Canonical SMILES

PubChem ID: 3636 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C9H14N3O8P

Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O

PubChem ID: Compound(6131)

InChI Key: IERHLVCPSMICTF-XVFCMESISA-N

FORMULA: C8H14O13P2R2

Canonical SMILES: C(C(COP(=O)(O)OCC(COC=O)OC=O)O)OP(=O)(O)O

PubChem ID: Compound(46873832)

InChI Key: ZSPJCYNIVYENCI-JGVFFNPUSA-N

FORMULA: C14H19N3O15P2R2

Canonical SMILES: No Canonical SMILES

PubChem ID: 3567 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C5H6O5R2

Canonical SMILES: C(C(COC=O)OC=O)O

PubChem ID: Compound(6419702)

InChI Key: JYNGWFMXEJIJEE-YFKPBYRVSA-N

FORMULA: C5H7O8PR2

Canonical SMILES: C(C(COP(=O)([O-])[O-])OC=O)OC=O

PubChem ID: Compound(45266627)

InChI Key: YOMDOOYNZDMRMW-UHFFFAOYSA-L

FORMULA: C7H12NO8PR2

Canonical SMILES: C(COP(=O)(O)OCC(COC=O)OC=O)N

PubChem ID: Compound(46906077)

InChI Key: FNMRNKWEDURENQ-ZETCQYMHSA-N

FORMULA: C8H12NO10PR2

Canonical SMILES: CCCC(=O)OC(COC(=O)CC)COP(=O)(O)OCC(C(=O)O)N

PubChem ID: Compound(6323481)

InChI Key: UNJJBGNPUUVVFQ-ZJUUUORDSA-N

FORMULA: C5H12O8P2

Canonical SMILES: CC(=CCOP(=O)(O)OP(=O)(O)O)CO

PubChem ID: Compound(5281976)

InChI Key: MDSIZRKJVDMQOQ-GORDUTHDSA-N

FORMULA: C9H17NO5

Canonical SMILES: CC(C)(CO)C(C(=O)NCCC(=O)O)O

PubChem ID: Compound(6613)

InChI Key: GHOKWGTUZJEAQD-ZETCQYMHSA-N

FORMULA: C9H17NO5

Canonical SMILES: CC(C)(CO)C(C(=O)NCCC(=O)O)O

PubChem ID: Compound(6613)

InChI Key: GHOKWGTUZJEAQD-ZETCQYMHSA-N

FORMULA: C4H7OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8040 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C4H5OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 6911 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C14H25OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8055 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C14H27OSR

Canonical SMILES: CCCCCCCCCCCCCC(=O)S

PubChem ID: Compound(446020)

InChI Key: JCBQWVZNUIFFBX-UHFFFAOYSA-N

FORMULA: C12H23OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 7620 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C12H21OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8053 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C8H15OSR

Canonical SMILES: CCCCCCCC(=O)S

PubChem ID: Compound(447633)

InChI Key: PDEYSNPCEJMIMW-UHFFFAOYSA-N

FORMULA: C8H13OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8046 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C6H9OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8043 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C6H11OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8044 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C10H19OSR

Canonical SMILES: CCCCCCCCCC(=O)S

PubChem ID: Compound(6540288)

InChI Key: KCCRAAQDMFFCJS-UHFFFAOYSA-N

FORMULA: C10H17OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8049 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C16H29OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8058 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C16H31OSR

Canonical SMILES: CCCCCCCCCCCCCCCC(=O)S

PubChem ID: Compound(444210)

InChI Key: KPUXJBYSYFEKKB-UHFFFAOYSA-N

FORMULA: C4H7O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 7208 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C6H11O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8042 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C12H23O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8052 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C16H31O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 7222 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C10H19O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 7209 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C8H15O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 7210 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C14H27O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 7269 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C16H29O2SR

Canonical SMILES: CCCCCCCCCCCCCC(=O)CC(=O)S

PubChem ID: Compound(53356664)

InChI Key: VKNRDDHQAWQZCD-UHFFFAOYSA-N

FORMULA: C6H9O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8041 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C10H17O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8048 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C4H5O2SR

Canonical SMILES: CC(=O)CC(=O)S

PubChem ID: Compound(20545621)

InChI Key: QPLPMPAMOJIAMN-UHFFFAOYSA-N

FORMULA: C12H21O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8051 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C8H13O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8045 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C14H25O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 8054 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C3H3O3SR

Canonical SMILES: C(C(=O)[O-])C(=O)S

PubChem ID: Compound(45266628)

InChI Key: DQJIPLBLBSCDMP-UHFFFAOYSA-M

FORMULA: HSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 3528 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C2H3OSR

Canonical SMILES: CC(=O)S

PubChem ID: Compound(10484)

InChI Key: DUYAAUVXQSMXQP-UHFFFAOYSA-N

FORMULA: C42H44FeN8O8S2R4

Canonical SMILES: No Canonical SMILES

PubChem ID: No PubChem ID

InChI Key: No InChi Key

FORMULA: C42H44FeN8O8S2R4

Canonical SMILES: No Canonical SMILES

PubChem ID: 4242 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C10H18NO8PR2

Canonical SMILES: C[N+](C)(C)CCOP(=O)(O)OCC(COC=O)OC=O

PubChem ID: Compound(10425706)

InChI Key: RBAWEGYJSDPEHX-UHFFFAOYSA-O

FORMULA: C11H17O13PR2

Canonical SMILES: C(C(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC=O)OC=O

PubChem ID: Compound(53477912)

InChI Key: GUBXYMKIJFOYOA-WSRCIYAPSA-N

FORMULA: C4H8O7PR

Canonical SMILES: C(C(COP(=O)(O)O)O)OC=O

PubChem ID: Compound(25163997)

InChI Key: FIZSCSXWOJBHKQ-SCSAIBSYSA-N

FORMULA: C22H35N7O17P3SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 3342 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C6H5O6R3

Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

PubChem ID: Compound(11146)

InChI Key: DCXXMTOCNZCJGO-UHFFFAOYSA-N

FORMULA: C8H12N4O4S2R4

Canonical SMILES: No Canonical SMILES

PubChem ID: 5311 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C42H44FeN8O8S2R4

Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(C)SCC(C(=O)NC)N)C)C(C)SCC(C(=O)NC)N)C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2]

Notes: Changed molecular formula from C42H52FeN8O6S2 (PubChem) to C42H44FeN8O8S2R4 (KEGG)

PubChem ID: Compound(439171)

InChI Key: WFVBWSTZNVJEAY-UHFFFAOYSA-L

FORMULA: C11H18O16P2R2

Canonical SMILES: No Canonical SMILES

PubChem ID: 4496 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C6H15O15P3

Canonical SMILES: C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O

PubChem ID: Compound(439456)

InChI Key: MMWCIQZXVOZEGG-XJTPDSDZSA-N

FORMULA: C11H19O19P3R2

Canonical SMILES: C(C(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC=O)OC=O

PubChem ID: Compound(24755493)

InChI Key: JACRVMAFUDKXJP-DEKDTTDGSA-N

FORMULA: H3N

Canonical SMILES: N

PubChem ID: Compound(222)

InChI Key: QGZKDVFQNNGYKY-UHFFFAOYSA-N

FORMULA: C19H23N7O6

Canonical SMILES: C1C(NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

PubChem ID: Compound(91443)

InChI Key: MSTNYGQPCMXVAQ-KIYNQFGBSA-N

FORMULA: C8H16NOS2R

Canonical SMILES: No Canonical SMILES

PubChem ID: 5884 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C9H19N2OS2R

Canonical SMILES: No Canonical SMILES

PubChem ID: 4463 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C20H23N7O6

Canonical SMILES: C1C2CN(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

PubChem ID: Compound(439175)

InChI Key: QYNUQALWYRSVHF-PZORYLMUSA-N

FORMULA: C18H26N5O6SR2

Canonical SMILES: No Canonical SMILES

PubChem ID: 7051 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C17H27N5O4SR2

Canonical SMILES: No Canonical SMILES

PubChem ID: 8489 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C19H38NO3R

Canonical SMILES: CCCCCCCCCCCCCCCC(C(CO)NC=O)O

PubChem ID: Compound(16755624)

InChI Key: XSDVOEIEBUGRQX-RBUKOAKNSA-N

FORMULA: C18H33O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 47205527 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C18H35O2SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 47205528 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C18H33OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 47205529 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C18H35OSR

Canonical SMILES: No Canonical SMILES

PubChem ID: 6780 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C5H12O7P2

Canonical SMILES: CC(=CCOP(=O)(O)OP(=O)(O)O)C

PubChem ID: Compound(647)

InChI Key: CBIDRCWHNCKSTO-UHFFFAOYSA-N

FORMULA: C5H12O7P2

Canonical SMILES: CC(=C)CCOP(=O)(O)OP(=O)(O)O

PubChem ID: Compound(1195)

InChI Key: NUHSROFQTUXZQQ-UHFFFAOYSA-N

FORMULA: C49H76O4

Canonical SMILES: CC1=C(C(=C(C(=C1O)OC)OC)O)CC=C(C)CCC=C(C)C

PubChem ID: Compound(5280344)

InChI Key: RNUCUWWMTTWKAH-JLHYYAGUSA-N

FORMULA: C49H74O4

Canonical SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C

PubChem ID: Compound(5280346)

InChI Key: SQQWBSBBCSFQGC-JLHYYAGUSA-N

FORMULA: C9H18NO8P

Canonical SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O

PubChem ID: Compound(41635)

InChI Key: XHFVGHPGDLDEQO-ZETCQYMHSA-N

FORMULA: C14H20N6O5S

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSCCC(C(=O)O)N)O)O

PubChem ID: Compound(439155)

InChI Key: ZJUKTBDSGOFHSH-WFMPWKQPSA-N

FORMULA: C48H72O4

Canonical SMILES: CC1=C(C(=C(C(=O)C1=O)OC)O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

PubChem ID: Compound(5280837)

InChI Key: DQJWFZUHRQXFGB-WDXILIIOSA-N

FORMULA: C5H12N2O2

Canonical SMILES: C(CC(C(=O)O)N)CN

PubChem ID: Compound(6262)

InChI Key: AHLPHDHHMVZTML-BYPYZUCNSA-N

FORMULA: C3H7O6P

Canonical SMILES: C(C(C=O)O)OP(=O)(O)O

PubChem ID: Compound(439168)

InChI Key: LXJXRIRHZLFYRP-VKHMYHEASA-N

FORMULA: C6H14O12P2

Canonical SMILES: C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O

PubChem ID: Compound(10267)

InChI Key: RNBGYGVWRKECFJ-ARQDHWQXSA-N

FORMULA: C5H9NO3

Canonical SMILES: C(CC(C(=O)O)N)C=O

PubChem ID: Compound(193305)

InChI Key: KABXUUFDPUOJMW-BYPYZUCNSA-N

FORMULA: C5H7NO2

Canonical SMILES: C1CC(N=C1)C(=O)O

PubChem ID: Compound(440162)

InChI Key: DWAKNKKXGALPNW-BYPYZUCNSA-N

FORMULA: C27H46O

Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

PubChem ID: Compound(5997)

InChI Key: HVYWMOMLDIMFJA-DPAQBDIFSA-N

FORMULA: C28H45O2R

Canonical SMILES: No Canonical SMILES

PubChem ID: 5537 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C6H10O3

Canonical SMILES: CCC(C)C(=O)C(=O)O

PubChem ID: Compound(47)

InChI Key: JVQYSWDUAOAHFM-UHFFFAOYSA-N

FORMULA: C26H44N7O17P3S

Canonical SMILES: CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

PubChem ID: Compound(71448903)

InChI Key: LYNVNYDEQMMNMZ-JRQZLUQRSA-N

FORMULA: C7H15O10P

Canonical SMILES: C(C(C(C(C(C(=O)CO)O)O)O)O)OP(=O)(O)O

PubChem ID: Compound(165007)

InChI Key: JDTUMPKOJBQPKX-GBNDHIKLSA-N

FORMULA: C6H13O7PS

Canonical SMILES: CSCC1C(C(C(O1)OP(=O)(O)O)O)O

PubChem ID: Compound(11988266)

InChI Key: JTFITTQBRJDSTL-KVTDHHQDSA-N

FORMULA: C11H14N4O4S

Canonical SMILES: CSC1=NC=NC2=C1N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

PubChem ID: Compound(10091038)

InChI Key: BMYFUCYXRGTQQL-IOSLPCCCSA-N

FORMULA: C6H14O6

Canonical SMILES: C(C(C(C(C(CO)O)O)O)O)O

PubChem ID: Compound(5780)

InChI Key: FBPFZTCFMRRESA-JGWLITMVSA-N

FORMULA: C5H11O7P

Canonical SMILES: C1C(C(OC1O)COP(=O)(O)O)O

PubChem ID: Compound(439288)

InChI Key: KKZFLSZAWCYPOC-PYHARJCCSA-N

FORMULA: C2H4O

Canonical SMILES: CC=O

PubChem ID: Compound(177)

InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N

FORMULA: C6H10O3

Canonical SMILES: CCC(C)C(=O)C(=O)O

PubChem ID: Compound(47)

InChI Key: JVQYSWDUAOAHFM-UHFFFAOYSA-N

FORMULA: C4H9O7P

Canonical SMILES: C(C(C(C=O)O)O)OP(=O)(O)O

PubChem ID: Compound(122357)

InChI Key: NGHMDNPXVRFFGS-IUYQGCFVSA-N

FORMULA: C4H9NO2S

Canonical SMILES: C(CS)C(C(=O)O)N

PubChem ID: Compound(91552)

InChI Key: FFFHZYDWPBMWHY-VKHMYHEASA-N

FORMULA: C6H13O9P

Canonical SMILES: C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O

PubChem ID: Compound(65533)

InChI Key: HXXFSFRBOHSIMQ-VFUOTHLCSA-N

FORMULA: C6H13NO7PR

Canonical SMILES: No Canonical SMILES

PubChem ID: 7069 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C10H18NO2S2R

Canonical SMILES: CC(=O)SCCC(CCCCC(=O)N)S

PubChem ID: Compound(24906332)

InChI Key: WXCOTNFMLYTGPZ-UHFFFAOYSA-N

FORMULA: C8H16NOS2R

Canonical SMILES: No Canonical SMILES

PubChem ID: 47205286 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C9H20NO7PR

Canonical SMILES: C[N+](C)(C)CCOP(=O)(O)OCC(CO)OC=O

PubChem ID: Compound(24798682)

InChI Key: WOBXACRJIURDTO-SECBINFHSA-O

FORMULA: C8H14NOS2R

Canonical SMILES: No Canonical SMILES

PubChem ID: 47205285 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C16H32O2

Canonical SMILES: CCCCCCCCCCCCCCCC(=O)O

PubChem ID: Compound(985)

InChI Key: IPCSVZSSVZVIGE-UHFFFAOYSA-N

FORMULA: C48H72O3

Canonical SMILES: CC1=C(C(=O)C(=CC1=O)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

PubChem ID: Compound(5280836)

InChI Key: FLYBTLROCQBHMR-KFSSTAEESA-N

FORMULA: C47H70O3

Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(=O)C=C(C1=O)OC)C)C)C)C)C)C)C)C

PubChem ID: Compound(5280835)

InChI Key: AFTBILPWMUSGIN-MYCGWMCTSA-N

FORMULA: C46H70O2

Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC=C1)O)O)C)C)C)C)C)C)C)C

PubChem ID: Compound(5280833)

InChI Key: YNPGYMZVNLIZLD-BQFKTQOQSA-N

FORMULA: C47H72O2

Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C(=CC=C1)OC)O)C)C)C)C)C)C)C)C

PubChem ID: Compound(5280834)

InChI Key: MARGKPIMNMASKJ-CMAXTTDKSA-N

FORMULA: C46H70O

Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC=CC=C1O)C)C)C)C)C)C)C)C

PubChem ID: Compound(5280832)

InChI Key: VUNQJPPPTJIREN-CMAXTTDKSA-N

FORMULA: C47H70O3

Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)C(=O)O)O)C)C)C)C)C)C)C)C

PubChem ID: Compound(5280831)

InChI Key: UTIBHEBNILDQKX-LQOKPSQISA-N

FORMULA: O7P2

Canonical SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-]

PubChem ID: Compound(644102)

InChI Key: XPPKVPWEQAFLFU-UHFFFAOYSA-J

FORMULA: C40H68O7P2

Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C

PubChem ID: Compound(5280651)

InChI Key: IKKLDISSULFFQO-DJMILUHSSA-N

FORMULA: C7H5O3

Canonical SMILES: C1=CC(=CC=C1C(=O)O)[O-]

PubChem ID: Compound(54675830)

InChI Key: FJKROLUGYXJWQN-UHFFFAOYSA-M

FORMULA: C3H3O3

Canonical SMILES: CC(=O)C(=O)[O-]

PubChem ID: Compound(107735)

InChI Key: LCTONWCANYUPML-UHFFFAOYSA-M

FORMULA: C10H10O6

Canonical SMILES: C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O

PubChem ID: Compound(12039)

InChI Key: WTFXTQVDAKGDEY-HTQZYQBOSA-N

FORMULA: C10H20O7P2

Canonical SMILES: CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C

PubChem ID: Compound(445995)

InChI Key: GVVPGTZRZFNKDS-JXMROGBWSA-N

FORMULA: C8H14NOS2R

Canonical SMILES: No Canonical SMILES

PubChem ID: 5140 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C42H44FeN8O8S2R4

Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(C)SCC(C(=O)NC)N)C)C(C)SCC(C(=O)NC)N)C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2]

Notes: Changed molecular formula from C42H52FeN8O6S2 (PubChem) to C42H44FeN8O8S2R4 (KEGG)

PubChem ID: Compound(439171)

InChI Key: WFVBWSTZNVJEAY-UHFFFAOYSA-L

FORMULA: C8H13O10PR2

Canonical SMILES: CCC.CCO.C(C(COP(=O)(O)O)O)O

PubChem ID: Compound(45109789)

InChI Key: GDQGIGPGALPYCN-UHFFFAOYSA-N

FORMULA: C13H18O17P2R4

Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC

PubChem ID: Compound(449005)

InChI Key: XVTUQDWPJJBEHJ-KZCWQMDCSA-N

FORMULA: C6H14O12P2

Canonical SMILES: C1(C(C(C(C(C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O

PubChem ID: Compound(439444)

InChI Key: PELZSPZCXGTUMR-MBEOBJKWSA-N

FORMULA: C6H13O9P

Canonical SMILES: C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O

PubChem ID: Compound(440043)

InChI Key: INAPMGSXUVUWAF-GFWFORPUSA-N

FORMULA: C5H9NO3

Canonical SMILES: C(CC(=O)O)C(=O)CN

PubChem ID: Compound(137)

InChI Key: ZGXJTSGNIOSYLO-UHFFFAOYSA-N

FORMULA: C10H14N2O4

Canonical SMILES: C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O

PubChem ID: Compound(1021)

InChI Key: QSHWIQZFGQKFMA-UHFFFAOYSA-N

FORMULA: H3N

Canonical SMILES: N

PubChem ID: Compound(222)

InChI Key: QGZKDVFQNNGYKY-UHFFFAOYSA-N

FORMULA: C40H46N4O17

Canonical SMILES: C1=C(C(=C(N1)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CO)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O

PubChem ID: Compound(788)

InChI Key: WDFJYRZCZIUBPR-UHFFFAOYSA-N

FORMULA: C40H44N4O16

Canonical SMILES: C1C2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O

PubChem ID: Compound(1179)

InChI Key: HUHWZXWWOFSFKF-UHFFFAOYSA-N

FORMULA: C36H44N4O8

Canonical SMILES: CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)C

PubChem ID: Compound(321)

InChI Key: NIUVHXTXUXOFEB-UHFFFAOYSA-N

FORMULA: C34H32FeN4O4

Canonical SMILES: CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C)CCC(=O)O)CCC(=O)O.[Fe+2]

PubChem ID: Compound(26945)

InChI Key: KABFMIBPWCXCRK-UHFFFAOYSA-L

FORMULA: Fe

Canonical SMILES: [Fe+2]

PubChem ID: Compound(27284)

InChI Key: CWYNVVGOOAEACU-UHFFFAOYSA-N

FORMULA: CO

Canonical SMILES: [C-]#[O+]

PubChem ID: Compound(281)

InChI Key: UGFAIRIUMAVXCW-UHFFFAOYSA-N

FORMULA: C33H34N4O6

Canonical SMILES: CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O

PubChem ID: Compound(5280353)

InChI Key: RCNSAJSGRJSBKK-NSQVQWHSSA-N

FORMULA: C7H13O10P

Canonical SMILES: C(C(C(C(COP(=O)(O)O)O)O)O)C(=O)C(=O)O

PubChem ID: Compound(160647)

InChI Key: PJWIPEXIFFQAQZ-PUFIMZNGSA-N

FORMULA: C7H10O6

Canonical SMILES: C1C(C(C(=O)CC1(C(=O)O)O)O)O

PubChem ID: Compound(439351)

InChI Key: WVMWZWGZRAXUBK-SYTVJDICSA-N

FORMULA: C7H8O5

Canonical SMILES: C1C(C(C(=O)C=C1C(=O)O)O)O

PubChem ID: Compound(439774)

InChI Key: SLWWJZMPHJJOPH-PHDIDXHHSA-N

FORMULA: C6H10O3

Canonical SMILES: CC(C)CC(=O)C(=O)O

PubChem ID: Compound(70)

InChI Key: BKAJNAXTPSGJCU-UHFFFAOYSA-N

FORMULA: C26H40N7O17P3S

Canonical SMILES: CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O

PubChem ID: Compound(45266576)

InChI Key: UYVZIWWBJMYRCD-ZMHDXICWSA-J

FORMULA: C9H8O4

Canonical SMILES: C1=CC(=CC=C1C=C(C(=O)O)O)O

PubChem ID: Compound(636708)

InChI Key: GQYBCIHRWMPOOF-YVMONPNESA-N

FORMULA: C12H17N4OS

Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO

PubChem ID: Compound(1130)

InChI Key: JZRWCGZRTZMZEH-UHFFFAOYSA-N

FORMULA: C12H18N4O7P2S

Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-]

PubChem ID: Compound(5431)

InChI Key: AYEKOFBPNLCAJY-UHFFFAOYSA-N

FORMULA: C5H9NO4

Canonical SMILES: C(CC(=O)O)C(C(=O)O)N

PubChem ID: Compound(33032)

InChI Key: WHUUTDBJXJRKMK-VKHMYHEASA-N

FORMULA: C7H9N5O2

Canonical SMILES: C1C(=NC2=C(N1)NC(=NC2=O)N)CO

PubChem ID: Compound(218)

InChI Key: CQQNNQTXUGLUEV-UHFFFAOYSA-N

FORMULA: C6H8O7

Canonical SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O

PubChem ID: Compound(311)

InChI Key: KRKNYBCHXYNGOX-UHFFFAOYSA-N

FORMULA: C4H4O4

Canonical SMILES: C(CC(=O)[O-])C(=O)[O-]

PubChem ID: Compound(160419)

InChI Key: KDYFGRWQOYBRFD-UHFFFAOYSA-L

FORMULA: C5H9NO3

Canonical SMILES: C1C(CNC1C(=O)O)O

PubChem ID: Compound(5810)

InChI Key: PMMYEEVYMWASQN-DMTCNVIQSA-N

FORMULA: C6H14NO2S

Canonical SMILES: C[S+](C)CCC(C(=O)O)N

PubChem ID: Compound(145692)

InChI Key: YDBYJHTYSHBBAU-YFKPBYRVSA-O

FORMULA: C6H9N3O

Canonical SMILES: CC1=NC=C(C(=N1)N)CO

PubChem ID: Compound(777)

InChI Key: VUTBELPREDJDDH-UHFFFAOYSA-N

FORMULA: C6H10N3O4P

Canonical SMILES: CC1=NC=C(C(=N1)N)COP(=O)(O)O

PubChem ID: Compound(216)

InChI Key: PKYFHKIYHBRTPI-UHFFFAOYSA-N

FORMULA: C6H11N3O7P2

Canonical SMILES: CC1=NC=C(C(=N1)N)COP(=O)(O)OP(=O)(O)O

PubChem ID: Compound(217)

InChI Key: AGQJQCFEPUVXNK-UHFFFAOYSA-N

FORMULA: C6H8NO4PS

Canonical SMILES: CC1=C(SC=N1)CCOP(=O)([O-])[O-]

PubChem ID: Compound(25245616)

InChI Key: OCYMERZCMYJQQO-UHFFFAOYSA-L

FORMULA: C6H9NOS

Canonical SMILES: CC1=C(SC=N1)CCO

PubChem ID: Compound(1136)

InChI Key: BKAWJIRCKVUVED-UHFFFAOYSA-N

FORMULA: C12H18N4O4PS

Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O

PubChem ID: Compound(1131)

InChI Key: HZSAJDVWZRBGIF-UHFFFAOYSA-O

FORMULA: C17H20N4O6

Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O

PubChem ID: Compound(493570)

InChI Key: AUNGANRZJHBGPY-SCRDCRAPSA-N

FORMULA: C17H21N4O9P

Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O

PubChem ID: Compound(643976)

InChI Key: FVTCRASFADXXNN-SCRDCRAPSA-N

FORMULA: C3H7NO3

Canonical SMILES: C(C(C(=O)O)N)O

PubChem ID: Compound(5951)

InChI Key: MTCFGRXMJLQNBG-REOHCLBHSA-N

FORMULA: C6H13NO7PR

Canonical SMILES: C(COP(=O)([O-])OCC(CO)OC=O)[NH3+]

PubChem ID: Compound(57339183)

InChI Key: MIVJYYBLTQGACL-ZCFIWIBFSA-N

FORMULA: C4H8O7PR

Canonical SMILES: C(C(COP(=O)(O)O)O)OC=O

PubChem ID: Compound(25163997)

InChI Key: FIZSCSXWOJBHKQ-SCSAIBSYSA-N

FORMULA: C22H35N7O17P3SR

Canonical SMILES: No Canonical SMILES

PubChem ID: 3342 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C5H7O8PR2

Canonical SMILES: C(C(COP(=O)([O-])[O-])OC=O)OC=O

PubChem ID: Compound(45266627)

InChI Key: YOMDOOYNZDMRMW-UHFFFAOYSA-L

FORMULA: C4H9NO2

Canonical SMILES: C(CC(=O)O)CN

PubChem ID: Compound(119)

InChI Key: BTCSSZJGUNDROE-UHFFFAOYSA-N

FORMULA: C4H5O3

Canonical SMILES: C(CC(=O)[O-])C=O

PubChem ID: Compound(9543238)

InChI Key: UIUJIQZEACWQSV-UHFFFAOYSA-M

FORMULA: C4H9NO2

Canonical SMILES: C(CC(=O)O)CN

PubChem ID: Compound(119)

InChI Key: BTCSSZJGUNDROE-UHFFFAOYSA-N

FORMULA: C2974H5692N784O1384S16Fe4

FORMULA: C272H248Fe8N32O32

FORMULA: C8H15OSR

FORMULA: C42H44FeN8O8S2R4

FORMULA: C8H12N4O4S2R4

FORMULA: C40H68O7P2

FORMULA: C25H42N7O17P3S

FORMULA: C26H44N7O17P3S

FORMULA: C26H40N7O17P3S

FORMULA: C4H5O3

FORMULA: C16H32O2

FORMULA: C18H35OSR

FORMULA: C10H20O7P2

FORMULA: C16H31OSR

FORMULA: C16H29OSR

FORMULA: C6H12O6

Canonical SMILES: C(C1C(C(C(C(O1)O)O)O)O)O

PubChem ID: Compound(5793)

InChI Key: WQZGKKKJIJFFOK-GASJEMHNSA-N

FORMULA: C10H16N5O13P3

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

PubChem ID: Compound(5957)

InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N

FORMULA: C5H5N5

Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)N

PubChem ID: Compound(190)

InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N

FORMULA: C10H13N5O4

Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

PubChem ID: Compound(60961)

InChI Key: OIRDTQYFTABQOQ-KQYNXXCUSA-N

FORMULA: CO2

Canonical SMILES: C(=O)=O

PubChem ID: Compound(280)

InChI Key: CURLTUGMZLYLDI-UHFFFAOYSA-N

FORMULA: C4H2O4

Canonical SMILES: C(=CC(=O)[O-])C(=O)[O-]

PubChem ID: Compound(5460307)

InChI Key: VZCYOOQTPOCHFL-OWOJBTEDSA-L

FORMULA: C20H32N6O12S2

Canonical SMILES: C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N

PubChem ID: Compound(65359)

InChI Key: YPZRWBKMTBYPTK-BJDJZHNGSA-N

FORMULA: C5H10N2O3

Canonical SMILES: C(CC(=O)N)C(C(=O)O)N

PubChem ID: Compound(5961)

InChI Key: ZDXPYRJPNDTMRX-VKHMYHEASA-N

FORMULA: C3H8O3

Canonical SMILES: C(C(CO)O)O

PubChem ID: Compound(753)

InChI Key: PEDCQBHIVMGVHV-UHFFFAOYSA-N

FORMULA: H2O

Canonical SMILES: O

PubChem ID: Compound(962)

InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N

FORMULA: CHO3

Canonical SMILES: C(=O)(O)[O-]

PubChem ID: Compound(769)

InChI Key: BVKZGUZCCUSVTD-UHFFFAOYSA-M

FORMULA: H

Canonical SMILES: [H+]

PubChem ID: Compound(1038)

InChI Key: GPRLSGONYQIRFK-UHFFFAOYSA-N

FORMULA: C5H4N4O

Canonical SMILES: C1=NC2=C(N1)C(=O)N=CN2

PubChem ID: Compound(790)

InChI Key: FDGQSTZJBFJUBT-UHFFFAOYSA-N

FORMULA: C6H13NO2

Canonical SMILES: CC(C)CC(C(=O)O)N

PubChem ID: Compound(6106)

InChI Key: ROHFNLRQFUQHCH-YFKPBYRVSA-N

FORMULA: C4H6O5

Canonical SMILES: C(C(C(=O)O)O)C(=O)O

PubChem ID: Compound(222656)

InChI Key: BJEPYKJPYRNKOW-REOHCLBHSA-N

FORMULA: H3N

Canonical SMILES: N

PubChem ID: Compound(222)

InChI Key: QGZKDVFQNNGYKY-UHFFFAOYSA-N

FORMULA: O2

Canonical SMILES: O=O

PubChem ID: Compound(977)

InChI Key: MYMOFIZGZYHOMD-UHFFFAOYSA-N

FORMULA: O7P2

Canonical SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-]

PubChem ID: Compound(644102)

InChI Key: XPPKVPWEQAFLFU-UHFFFAOYSA-J

FORMULA: O4P

Canonical SMILES: [O-]P(=O)([O-])[O-]

PubChem ID: Compound(1061)

InChI Key: NBIIXXVUZAFLBC-UHFFFAOYSA-K

FORMULA: C3H6O3

Canonical SMILES: CC(C(=O)O)O

PubChem ID: Compound(107689)

InChI Key: JVTAAEKCZFNVCJ-REOHCLBHSA-N

FORMULA: CH4N2O

Canonical SMILES: C(=O)(N)N

PubChem ID: Compound(1176)

InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N

FORMULA: C3H7NO2

Canonical SMILES: CC(C(=O)O)N

PubChem ID: Compound(5950)

InChI Key: QNAYBMKLOCPYGJ-REOHCLBHSA-N

FORMULA: C6H14N4O2

Canonical SMILES: C(CC(C(=O)O)N)CN=C(N)N

PubChem ID: Compound(6322)

InChI Key: ODKSFYDXXFIFQN-BYPYZUCNSA-N

FORMULA: C4H8N2O3

Canonical SMILES: C(C(C(=O)O)N)C(=O)N

PubChem ID: Compound(6267)

InChI Key: DCXYFEDJOCDNAF-REOHCLBHSA-N

FORMULA: C4H7NO4

Canonical SMILES: C(C(C(=O)O)N)C(=O)O

PubChem ID: Compound(5960)

InChI Key: CKLJMWTZIZZHCS-REOHCLBHSA-N

FORMULA: C3H7NO2S

Canonical SMILES: C(C(C(=O)O)N)S

PubChem ID: Compound(5862)

InChI Key: XUJNEKJLAYXESH-REOHCLBHSA-N

FORMULA: C5H9NO4

Canonical SMILES: C(CC(=O)O)C(C(=O)O)N

PubChem ID: Compound(33032)

InChI Key: WHUUTDBJXJRKMK-VKHMYHEASA-N

FORMULA: C10H17N3O6S

Canonical SMILES: C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N

PubChem ID: Compound(124886)

InChI Key: RWSXRVCMGQZWBV-WDSKDSINSA-N

FORMULA: C2H5NO2

Canonical SMILES: C(C(=O)O)N

PubChem ID: Compound(750)

InChI Key: DHMQDGOQFOQNFH-UHFFFAOYSA-N

FORMULA: C6H9N3O2

Canonical SMILES: C1=C(NC=N1)CC(C(=O)O)N

PubChem ID: Compound(6274)

InChI Key: HNDVDQJCIGZPNO-YFKPBYRVSA-N

FORMULA: C6H13NO2

Canonical SMILES: CCC(C)C(C(=O)O)N

PubChem ID: Compound(6306)

InChI Key: AGPKZVBTJJNPAG-WHFBIAKZSA-N

FORMULA: C6H14N2O2

Canonical SMILES: C(CCN)CC(C(=O)O)N

PubChem ID: Compound(5962)

InChI Key: KDXKERNSBIXSRK-YFKPBYRVSA-N

FORMULA: C5H11NO2S

Canonical SMILES: CSCCC(C(=O)O)N

PubChem ID: Compound(6137)

InChI Key: FFEARJCKVFRZRR-BYPYZUCNSA-N

FORMULA: C9H11NO2

Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)N

PubChem ID: Compound(6140)

InChI Key: COLNVLDHVKWLRT-QMMMGPOBSA-N

FORMULA: C5H9NO2

Canonical SMILES: C1CC(NC1)C(=O)O

PubChem ID: Compound(145742)

InChI Key: ONIBWKKTOPOVIA-BYPYZUCNSA-N

FORMULA: C5H14NO

Canonical SMILES: C[N+](C)(C)CCO

PubChem ID: Compound(305)

InChI Key: OEYIOHPDSNJKLS-UHFFFAOYSA-N

FORMULA: C3H7NO3

Canonical SMILES: C(C(C(=O)O)N)O

PubChem ID: Compound(5951)

InChI Key: MTCFGRXMJLQNBG-REOHCLBHSA-N

FORMULA: C4H9NO3

Canonical SMILES: CC(C(C(=O)O)N)O

PubChem ID: Compound(6288)

InChI Key: AYFVYJQAPQTCCC-GBXIJSLDSA-N

FORMULA: C11H12N2O2

Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

PubChem ID: Compound(6305)

InChI Key: QIVBCDIJIAJPQS-VIFPVBQESA-N

FORMULA: C9H11NO3

Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O

PubChem ID: Compound(6057)

InChI Key: OUYCCCASQSFEME-QMMMGPOBSA-N

FORMULA: C5H11NO2

Canonical SMILES: CC(C)C(C(=O)O)N

PubChem ID: Compound(6287)

InChI Key: KZSNJWFQEVHDMF-BYPYZUCNSA-N

FORMULA: C5H11O7P

Canonical SMILES: C1C(C(OC1O)COP(=O)(O)O)O

PubChem ID: Compound(439288)

InChI Key: KKZFLSZAWCYPOC-PYHARJCCSA-N

FORMULA: C2H4O

Canonical SMILES: CC=O

PubChem ID: Compound(177)

InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N

FORMULA: C6H14O6

Canonical SMILES: C(C(C(C(C(CO)O)O)O)O)O

PubChem ID: Compound(5780)

InChI Key: FBPFZTCFMRRESA-JGWLITMVSA-N

FORMULA: C6H13O7PS

Canonical SMILES: CSCC1C(C(C(O1)OP(=O)(O)O)O)O

PubChem ID: Compound(11988266)

InChI Key: JTFITTQBRJDSTL-KVTDHHQDSA-N

FORMULA: C27H46O

Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

PubChem ID: Compound(5997)

InChI Key: HVYWMOMLDIMFJA-DPAQBDIFSA-N

FORMULA: C13H18O17P2R4

Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC

PubChem ID: Compound(449005)

InChI Key: XVTUQDWPJJBEHJ-KZCWQMDCSA-N

FORMULA: C33H34N4O6

Canonical SMILES: CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O

PubChem ID: Compound(5280353)

InChI Key: RCNSAJSGRJSBKK-NSQVQWHSSA-N

FORMULA: CO

Canonical SMILES: [C-]#[O+]

PubChem ID: Compound(281)

InChI Key: UGFAIRIUMAVXCW-UHFFFAOYSA-N

FORMULA: C10H26N4

Canonical SMILES: C(CCNCCCN)CNCCCN

PubChem ID: Compound(1103)

InChI Key: PFNFFQXMRSDOHW-UHFFFAOYSA-N

FORMULA: C9H8O3

Canonical SMILES: C1=CC=C(C=C1)CC(=O)C(=O)O

PubChem ID: Compound(997)

InChI Key: BTNMPGBKDVTSJY-UHFFFAOYSA-N

FORMULA: C3H8O2

Canonical SMILES: CC(CO)O

PubChem ID: Compound(1030)

InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N

FORMULA: C25H46NO8R

Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC=O)O

PubChem ID: Compound(53477559)

InChI Key: BYWLNTJDYHPXFR-RASHCRKMSA-N

FORMULA: C6H12O6

Canonical SMILES: C(C1C(C(C(C(O1)O)O)O)O)O

PubChem ID: Compound(18950)

InChI Key: WQZGKKKJIJFFOK-QTVWNMPRSA-N

FORMULA: C6H6N2O

Canonical SMILES: C1=CC(=CN=C1)C(=O)N

PubChem ID: Compound(936)

InChI Key: DFPAKSUCGFBDDF-UHFFFAOYSA-N

FORMULA: C6H5NO2

Canonical SMILES: C1=CC(=CN=C1)C(=O)O

PubChem ID: Compound(938)

InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N

FORMULA: C6H12O6

Canonical SMILES: C1C(C(C(C(O1)(CO)O)O)O)O

PubChem ID: Compound(2723872)

InChI Key: LKDRXBCSQODPBY-VRPWFDPXSA-N

FORMULA: C9H8O4

Canonical SMILES: C1=CC(=CC=C1C=C(C(=O)O)O)O

PubChem ID: Compound(636708)

InChI Key: GQYBCIHRWMPOOF-YVMONPNESA-N

FORMULA: C11H20N2O6

Canonical SMILES: C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N

PubChem ID: Compound(160556)

InChI Key: ZDGJAHTZVHVLOT-YUMQZZPRSA-N

FORMULA: C12H18N4O7P2S

Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-]

PubChem ID: Compound(5431)

InChI Key: AYEKOFBPNLCAJY-UHFFFAOYSA-N

FORMULA: C12H17N4OS

Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO

PubChem ID: Compound(1130)

InChI Key: JZRWCGZRTZMZEH-UHFFFAOYSA-N

FORMULA: C5H14N2

Canonical SMILES: C(CCN)CCN

PubChem ID: Compound(273)

InChI Key: VHRGRCVQAFMJIZ-UHFFFAOYSA-N

FORMULA: C3H6O3

Canonical SMILES: C(C(C=O)O)O

PubChem ID: Compound(79014)

InChI Key: MNQZXJOMYWMBOU-VKHMYHEASA-N

FORMULA: C28H45O2R

Canonical SMILES: No Canonical SMILES

PubChem ID: 5537 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C10H12N4O5

Canonical SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O

PubChem ID: Compound(6021)

InChI Key: UGQMRVRMYYASKQ-KQYNXXCUSA-N

FORMULA: C5H4N4O2

Canonical SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

PubChem ID: Compound(1188)

InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N

FORMULA: C5H5N5O

Canonical SMILES: C1=NC2=C(N1)C(=O)N=C(N2)N

PubChem ID: Compound(764)

InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N

FORMULA: C5H9NO3

Canonical SMILES: C1C(CNC1C(=O)O)O

PubChem ID: Compound(5810)

InChI Key: PMMYEEVYMWASQN-DMTCNVIQSA-N

FORMULA: C7H19N3

Canonical SMILES: C(CCNCCCN)CN

PubChem ID: Compound(1102)

InChI Key: ATHGHQPFGPMSJY-UHFFFAOYSA-N

FORMULA: C4H12N2

Canonical SMILES: C(CCN)CN

PubChem ID: Compound(1045)

InChI Key: KIDHWZJUCRJVML-UHFFFAOYSA-N

FORMULA: C4H9NO2S

Canonical SMILES: C(CS)C(C(=O)O)N

PubChem ID: Compound(91552)

InChI Key: FFFHZYDWPBMWHY-VKHMYHEASA-N

FORMULA: C6H9N3O

Canonical SMILES: CC1=NC=C(C(=N1)N)CO

PubChem ID: Compound(777)

InChI Key: VUTBELPREDJDDH-UHFFFAOYSA-N

FORMULA: C6H9NOS

Canonical SMILES: CC1=C(SC=N1)CCO

PubChem ID: Compound(1136)

InChI Key: BKAWJIRCKVUVED-UHFFFAOYSA-N

FORMULA: C17H20N4O6

Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O

PubChem ID: Compound(493570)

InChI Key: AUNGANRZJHBGPY-SCRDCRAPSA-N

FORMULA: C7H9N5O2

Canonical SMILES: C1C(=NC2=C(N1)NC(=NC2=O)N)CO

PubChem ID: Compound(218)

InChI Key: CQQNNQTXUGLUEV-UHFFFAOYSA-N

FORMULA: C7H6NO2

Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])N

PubChem ID: Compound(4876)

InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-M

FORMULA: C19H21N7O6

Canonical SMILES: C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

PubChem ID: Compound(98792)

InChI Key: OZRNSSUDZOLUSN-LBPRGKRZSA-N

FORMULA: C11H17O13PR2

Canonical SMILES: C(C(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC=O)OC=O

PubChem ID: Compound(53477912)

InChI Key: GUBXYMKIJFOYOA-WSRCIYAPSA-N

FORMULA: C7H12NO8PR2

Canonical SMILES: C(COP(=O)(O)OCC(COC=O)OC=O)N

PubChem ID: Compound(46906077)

InChI Key: FNMRNKWEDURENQ-ZETCQYMHSA-N

FORMULA: C8H12NO10PR2

Canonical SMILES: CCCC(=O)OC(COC(=O)CC)COP(=O)(O)OCC(C(=O)O)N

PubChem ID: Compound(6323481)

InChI Key: UNJJBGNPUUVVFQ-ZJUUUORDSA-N

FORMULA: C10H18NO8PR2

Canonical SMILES: C[N+](C)(C)CCOP(=O)(O)OCC(COC=O)OC=O

PubChem ID: Compound(10425706)

InChI Key: RBAWEGYJSDPEHX-UHFFFAOYSA-O

FORMULA: C2H7NO

Canonical SMILES: C(CO)N

PubChem ID: Compound(700)

InChI Key: HZAXFHJVJLSVMW-UHFFFAOYSA-N

FORMULA: CHO2R

Canonical SMILES: No Canonical SMILES

PubChem ID: 3462 (PubChem SID)

InChI Key: No InChi Key

FORMULA: C5H6O5R2

Canonical SMILES: C(C(COC=O)OC=O)O

PubChem ID: Compound(6419702)

InChI Key: JYNGWFMXEJIJEE-YFKPBYRVSA-N

FORMULA: C4H9NO2

Canonical SMILES: C(CC(=O)O)CN

PubChem ID: Compound(119)

InChI Key: BTCSSZJGUNDROE-UHFFFAOYSA-N

FORMULA: C6H14NO2S

Canonical SMILES: C[S+](C)CCC(C(=O)O)N

PubChem ID: Compound(145692)

InChI Key: YDBYJHTYSHBBAU-YFKPBYRVSA-O

FORMULA: C37H66N7O17P3S

Canonical SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

PubChem ID: Compound(644109)

InChI Key: MNBKLUUYKPBKDU-BBECNAHFSA-N

FORMULA: C20H23N7O7

Canonical SMILES: C1C(NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

PubChem ID: Compound(6326742)

InChI Key: AUFGTPPARQZWDO-YPMHNXCESA-N

FORMULA: C31158H56838N8763O21591P1602S165R501

FORMULA: C2974H5692N784O1384S16Fe4

FORMULA: C272H248Fe8N32O32

FORMULA: C8H15OSR

FORMULA: C42H44FeN8O8S2R4

FORMULA: C8H12N4O4S2R4

FORMULA: C40H68O7P2

FORMULA: C25H42N7O17P3S

FORMULA: C26H44N7O17P3S

FORMULA: C26H40N7O17P3S

FORMULA: C4H5O3

FORMULA: C16H32O2

FORMULA: C18H35OSR

FORMULA: C10H20O7P2

FORMULA: C16H31OSR

FORMULA: C16H29OSR

FORMULA: C9H13N3O5

Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O

PubChem ID: Compound(6175)

InChI Key: UHDGCWIWMRVCDJ-XVFCMESISA-N

FORMULA: C9H13N3O5