CHEBI:48452 - pyrroloquinoline semiquinone

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ChEBI Name pyrroloquinoline semiquinone
ChEBI ID CHEBI:48452
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H7N2O8
Net Charge 0
Average Mass 331.21406
Monoisotopic Mass 331.02024
InChI InChI=1S/C14H7N2O8/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/h1-2,15,18H,(H,19,20)(H,21,22)(H,23,24)
InChIKey VKRODJWIGYCXIB-UHFFFAOYSA-N
SMILES [O]c1c(O)c2nc(cc(C(O)=O)c2c2[nH]c(cc12)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via pyrroloquinoline cofactor )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pyrroloquinoline semiquinone (CHEBI:48452) is a pyrroloquinoline cofactor (CHEBI:26461)
pyrroloquinoline semiquinone (CHEBI:48452) is a semiquinone (CHEBI:15817)
pyrroloquinoline semiquinone (CHEBI:48452) is a tricarboxylic acid (CHEBI:27093)
IUPAC Name
(2,7,9-tricarboxy-5-hydroxy-1H-pyrrolo[2,3-f]quinolin-4-yl)oxidanyl
Synonyms Sources
2,7,9-tricarboxy-1H-pyrrolo(2,3-f)quinoline-4-one-5-ol ChemIDplus
2,7,9-tricarboxypyrrolo(2,3-f)quinoline-4-ol-5-one ChemIDplus
PQQH ChemIDplus
pyrrolo-quinoline semiquinone ChemIDplus
Registry Number Type Source
84371-05-1 CAS Registry Number ChemIDplus
Last Modified
28 October 2008