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CHEBI:18315 - pyrroloquinoline quinone

ChEBI IDCHEBI:18315
ChEBI Namepyrroloquinoline quinone
Stars
DefinitionA pyrroloquinoline having oxo groups at the 4- and 5-positions and carboxy groups at the 2-, 7- and 9-positions.
Secondary ChEBI IDsCHEBI:7881, CHEBI:14986, CHEBI:26460, CHEBI:45251, CHEBI:49082
Last Modified4 August 2021
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC14H6N2O8
Net Charge0
Average Mass330.208
Monoisotopic Mass330.01242
SMILESO=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)nc1-2
InChIInChI=1S/C14H6N2O8/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/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
InChIKeyMMXZSJMASHPLLR-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
Synonyms  Source
PQQKEGG COMPOUND
Pyrrolo-quinoline quinoneKEGG COMPOUND
Pyrroloquinoline-quinoneKEGG COMPOUND
Pyrroloquinoline quinoneKEGG COMPOUND
PYRROLOQUINOLINE QUINONEPDBeChem
methoxatinChemIDplus
Manual XrefsDatabases
C00113KEGG COMPOUND
PQQPDBeChem
AA0283RESID
DB03205DrugBank
Pyrroloquinoline_quinoneWikipedia
997ChemSpider
FDB012848FooDB
C00053736KNApSAcK
HMDB0013636HMDB
Registry NumbersSources
Gmelin:56633Gmelin
Beilstein:3596812Beilstein
CAS:72909-34-3KEGG COMPOUND
CAS:72909-34-3ChemIDplus
Citations