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CHEBI:90897 - protoviolaceinic acid

ChEBI IDCHEBI:90897
ChEBI Nameprotoviolaceinic acid
Stars
DefinitionA pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 1H-indol-3-yl group at at position 5 by a 5-hydroxy-1H-indol-3-yl group.
Last Modified12 July 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H15N3O3
Net Charge0
Average Mass357.369
Monoisotopic Mass357.11134
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)
InChIKeyHNIIMOJBRIPGHJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
protoviolaceinic acid (CHEBI:90897) is a hydroxyindoles (CHEBI:84729)
protoviolaceinic acid (CHEBI:90897) is a monocarboxylic acid (CHEBI:25384)
protoviolaceinic acid (CHEBI:90897) is a pyrrolecarboxylic acid (CHEBI:26454)
protoviolaceinic acid (CHEBI:90897) is conjugate acid of protoviolaceinate (CHEBI:90898)
Incoming Relation(s)
protoviolaceinate (CHEBI:90898) is conjugate base of protoviolaceinic acid (CHEBI:90897)
IUPAC Name 
5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
Manual XrefsDatabases
CPD-14319MetaCyc
Registry NumbersSources
Reaxys:11281439Reaxys
Citations