Molecular Identity
Pyrroloquinoline Quinone
4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
PubChem CID: 1024
Pyrroloquinoline quinone is a pyrroloquinoline having oxo groups at the 4- and 5-positions and carboxy groups at the 2-, 7- and 9-positions. It has a role as an antioxidant, a cofactor, a water-soluble vitamin (role) and an anti-inflammatory agent. It is a member of orthoquinones, a pyrroloquinoline cofactor and a tricarboxylic acid. It is a conjugate acid of a pyrroloquinoline quinone(3-).
2D Structure
Properties
C14H6N2O8
Molecular Formula
330.21
Molecular Weight
g/mol
330.0124
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
175
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
647
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)OIsomeric SMILES
SMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)OSynonyms(20)
pyrroloquinoline quinone72909-34-3methoxatinCoenzyme pqqPyrrolo-quinoline quinonePqq coenzymePqq cofactor4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid4,5-dioxo-1H,4H,5H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid2,7,9-Tricarboxypyrroloquinoline quinoneDTXSID3041162CHEBI:1831547819QGH5L2,7,9-Tricarboxy-1H-pyrrolo(2,3-f)quinoline-4,5-dionepyrroloquinolinedione tricarboxylic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pyrroloquinoline Quinone
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