pyrroloquinoline quinone

Chemical Formula:

C₁₄H₃N₂O₈

Molecular Weight:

327.186 Daltons

Monoisotopic Mass:

330.01241517980003 Daltons

SMILES:

C2(C(=NC3(C(=O)C(=O)C1(C=C(C(=O)[O-])NC=1C(C=2C(=O)[O-])=3)))C(=O)[O-])

InChI:

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)/p-3

InChIKey:

MMXZSJMASHPLLR-UHFFFAOYSA-K

Synonyms

coenzyme PQQ
4,5-dihydro-4,5-dioxo-1H-pyrrolo[2,3-5,6]quinoline-2,7,9-tricarboxylic acid
2,7,9-tricarboxy-1H-pyrrolo(2,3-f)quinoline-4,5-dione
2,4,6-tricarboxylic-pyrrolo[2,3-5,6]quinoline 8,9-quinone
4,5-dioxo-3α,4,5,6,7,8,9,9β-octahydro-1H pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate
4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate
PQQ
methoxatin
2,7,9-tricarboxy-1H-pyrrolo[2,3-f]quinoline-4,5-dione

Databases

MetaCyc: PQQ

HMDB: HMDB13636

PubChem (CID): 23615439

ChEBI: 58442 18315

KEGG: C00113

CAS: 72909-34-3

DRUGBANK: DB03205

ChemSpider: 19951489

Seed: cpd00097

MetaNetX: MNXM601

PupChem (SID): 3413

CHEMBL: CHEMBL1235421

PDB-CCD: PQQ

3DMET: B00030

NIKKAJI: J126.218A