EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:90898 - protoviolaceinate

ChEBI IDCHEBI:90898
ChEBI Nameprotoviolaceinate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of protoviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.
Last Modified3 March 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H14N3O3
Net Charge-1
Average Mass356.361
Monoisotopic Mass356.10406
SMILESO=C([O-])c1nc(-c2cnc3ccc(O)cc23)cc1-c1cnc2ccccc12
InChIInChI=1S/C21H15N3O3/c25-11-5-6-18-13(7-11)16(10-23-18)19-8-14(20(24-19)21(26)27)15-9-22-17-4-2-1-3-12(15)17/h1-10,22-25H,(H,26,27)/p-1
InChIKeyHNIIMOJBRIPGHJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
protoviolaceinate (CHEBI:90898) is a monocarboxylic acid anion (CHEBI:35757)
protoviolaceinate (CHEBI:90898) is conjugate base of protoviolaceinic acid (CHEBI:90897)
Incoming Relation(s)
protoviolaceinic acid (CHEBI:90897) is conjugate acid of protoviolaceinate (CHEBI:90898)
IUPAC Name 
5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
UniProt Name  Source
protoviolaceinateUniProt
Manual XrefsDatabases
CPD-14319MetaCyc
Citations