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pyrroloquinoline quinol

Properties

Image

Occurences in reactions

MNX_ID

MNXM765

	#reac
in my sandbox	0
in MNXref (generic)	25
in models (compartimentalized)	13

formula

C₁₄H₄N₂O₈

charge

-4

mass

327.99896

reference

InChIKey

QZMUBZJJJKIXKV-UHFFFAOYSA-J

InChI

InChI=1S/C14H8N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15,17-18H,(H,19,20)(H,21,22)(H,23,24)/p-4

SMILES

O=C([O-])c1cc(C(=O)[O-])c2c(n1)c([O-])c(O)c1cc(C(=O)[O-])[nH]c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77660 chebi:77660	pyrroloquinoline quinol 4-hydroxy-5-oxido-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate pyrroloquinoline quinol(4-)
sabiork.compound:5543 sabiorkM:5543	PQQH2 Pyrroloquinoline quinol Reduced pyrroloquinoline-quinone
kegg.compound:C01359 keggC:C01359	PQQH2 Reduced pyrroloquinoline-quinone
seed.compound:cpd00986 seedM:cpd00986	PQQH2 Reduced pyrroloquinoline-quinone pqqh2 pyrroloquinoline quinol reduced pyrroloquinoline-quinone
bigg.metabolite:pqqh2 biggM:pqqh2	Reduced pyrroloquinoline-quinone
CHEBI:58459 chebi:58459	pyrroloquinoline quinol(3-) 4,5-dihydroxy-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate pyrroloquinoline quinol trianion
CHEBI:18356 chebi:18356	pyrroloquinoline quinol 2,7,9-tricarboxy-1H-pyrrolo(2,3-f)quinoline-4,5-diol 4,5-dihydroxy-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid PQQH2 Reduced pyrroloquinoline-quinone pyrrolo-quinoline quinol
metacyc.compound:CPD-15119 metacycM:CPD-15119	pyrroloquinoline quinol PQQH2 reduced pyrroloquinoline-quinone
chebi:15030 chebi:26526 chebi:7882 biggM:M_pqqh2 keggC:M_C01359 seedM:M_cpd00986	secondary/obsolete/fantasy identifier