CHEBI:77660 - pyrroloquinoline quinol(4−)

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ChEBI Name pyrroloquinoline quinol(4−) ChEBI ID CHEBI:77660 ChEBI ASCII Name pyrroloquinoline quinol(4-) Definition A tricarboxylic acid anion obtained by deprotonation of the three carboxy groups as well as the 5-hydroxy group of pyrroloquinoline quinol; major microspecies at pH 7.3 (according to Marvin v 6.2.0.). Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H4N2O8 Net Charge -4 Average Mass 328.19240 Monoisotopic Mass 327.99896 InChI InChI=1S/C14H8N2O8/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/h1-2,15,17-18H,(H,19,20)(H,21,22)(H,23,24)/p-4 InChIKey QZMUBZJJJKIXKV-UHFFFAOYSA-J SMILES Oc1c([O-])c2nc(cc(C([O-])=O)c2c2[nH]c(cc12)C([O-])=O)C([O-])=O ChEBI Ontology Outgoing pyrroloquinoline quinol(4−) (CHEBI:77660) is a tricarboxylic acid anion (CHEBI:35753) pyrroloquinoline quinol(4−) (CHEBI:77660) is conjugate base of pyrroloquinoline quinol (CHEBI:18356) pyrroloquinoline quinol(4−) (CHEBI:77660) is conjugate base of pyrroloquinoline quinol(3−) (CHEBI:58459) Incoming pyrroloquinoline quinol (CHEBI:18356) is conjugate acid of pyrroloquinoline quinol(4−) (CHEBI:77660) pyrroloquinoline quinol(3−) (CHEBI:58459) is conjugate acid of pyrroloquinoline quinol(4−) (CHEBI:77660) IUPAC Name 4-hydroxy-5-oxido-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate Synonym Source pyrroloquinoline quinol UniProt Last Modified 17 April 2014