Compound Identification
SMILES
OC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(=O)OCCC(P(O)([O-])=O)P(O)([O-])=O)C(=O)C2=O
InChIKey
InChIKey=WRQUADIEMRWPJP-UHFFFAOYSA-L
Formula
C17H12N2O14P2
Mass
530.232
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Quinolines and derivatives
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Subclass
Pyrroloquinolines
- Level 5 Pyrroloquinoline quinones
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Subclass
Pyrroloquinolines
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Class
Quinolines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Pyrroloquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloquinoline quinones
Alternative Parents
Quinoline carboxylic acids Pyridinecarboxylic acids Bisphosphonates Indoles and derivatives Pyrrole 2-carboxylic acids Aryl ketones O-quinones Substituted pyrroles Vinylogous amides Organic phosphonic acids Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Carboxylic acids Organophosphorus compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloquinoline quinone - Quinoline-4-carboxylic acid - Bisphosphonate - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - O-quinone - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Quinone - Aryl ketone - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Organophosphonic acid - Organophosphonic acid derivative - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organophosphorus compound - Organic oxide - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloquinoline quinones. These are compounds with a structure based on the 2,7,-tricarboxy-1H-pyrrolo[2,3-f ]quinoline-4,5-dione. Pyrroloquinoline Quinones usually bear a carboxylic acid group at the C-2, C-7 and C-9 positions.
External Descriptors
Not available