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CHEBI:48452 - pyrroloquinoline semiquinone

ChEBI IDCHEBI:48452
ChEBI Namepyrroloquinoline semiquinone
Stars
Last Modified28 October 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H7N2O8
Net Charge0
Average Mass331.216
Monoisotopic Mass331.02024
SMILES[O]c1c(O)c2nc(C(=O)O)cc(C(=O)O)c2c2nc(C(=O)O)cc12
InChIInChI=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)
InChIKeyVKRODJWIGYCXIB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
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  Source
2,7,9-tricarboxy-1H-pyrrolo(2,3-f)quinoline-4-one-5-olChemIDplus
2,7,9-tricarboxypyrrolo(2,3-f)quinoline-4-ol-5-oneChemIDplus
PQQHChemIDplus
pyrrolo-quinoline semiquinoneChemIDplus
Registry NumbersSources
CAS:84371-05-1ChemIDplus