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CHEBI:77660 - pyrroloquinoline quinol(4−)

Default Structure
ChEBI IDCHEBI:77660
ChEBI Namepyrroloquinoline quinol(4−)
Stars
ASCII Namepyrroloquinoline quinol(4-)
DefinitionA 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.).
Last Modified17 April 2014
SubmitterKAX
DownloadsMolfile
FormulaC14H4N2O8
Net Charge-4
Average Mass328.192
Monoisotopic Mass327.99896
SMILESO=C([O-])c1cc(C(=O)[O-])c2c(n1)c([O-])c(O)c1cc(C(=O)[O-])nc12
InChIInChI=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
InChIKeyQZMUBZJJJKIXKV-UHFFFAOYSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
UniProt Name  Source
pyrroloquinoline quinolUniProt