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CHEBI:90906 - protodeoxyviolaceinic acid

ChEBI IDCHEBI:90906
ChEBI Nameprotodeoxyviolaceinic acid
Stars
DefinitionA pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 and 5 by indol-3-yl groups.
Last Modified12 July 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H15N3O2
Net Charge0
Average Mass341.370
Monoisotopic Mass341.11643
SMILESO=C(O)c1nc(-c2cnc3ccccc23)cc1-c1cnc2ccccc12
InChIInChI=1S/C21H15N3O2/c25-21(26)20-14(15-10-22-17-7-3-1-5-12(15)17)9-19(24-20)16-11-23-18-8-4-2-6-13(16)18/h1-11,22-24H,(H,25,26)
InChIKeySFLGFRJGKHRRID-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chromobacterium violaceum (ncbitaxon:536) - PubMed (21779844)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
protodeoxyviolaceinic acid (CHEBI:90906) has role bacterial metabolite (CHEBI:76969)
protodeoxyviolaceinic acid (CHEBI:90906) is a indoles (CHEBI:24828)
protodeoxyviolaceinic acid (CHEBI:90906) is a monocarboxylic acid (CHEBI:25384)
protodeoxyviolaceinic acid (CHEBI:90906) is a pyrrolecarboxylic acid (CHEBI:26454)
protodeoxyviolaceinic acid (CHEBI:90906) is conjugate acid of protodeoxyviolaceinate (CHEBI:90907)
Incoming Relation(s)
protodeoxyviolaceinate (CHEBI:90907) is conjugate base of protodeoxyviolaceinic acid (CHEBI:90906)
IUPAC Name 
3,5-di(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
Manual XrefsDatabases
CPD-14320MetaCyc
Registry NumbersSources
Reaxys:11281440Reaxys
Citations