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CHEBI:90899 - violaceinic acid

ChEBI IDCHEBI:90899
ChEBI Nameviolaceinic acid
Stars
DefinitionA pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 3-hydroxyindol-3-yl group at at position 5 by a 5-hydroxyindol-3-yl group.
Last Modified12 July 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H15N3O4
Net Charge0
Average Mass373.368
Monoisotopic Mass373.10626
SMILESO=C(O)c1nc(-c2cnc3ccc(O)cc23)cc1-c1c(O)nc2ccccc12
InChIInChI=1S/C21H15N3O4/c25-10-5-6-15-12(7-10)14(9-22-15)17-8-13(19(23-17)21(27)28)18-11-3-1-2-4-16(11)24-20(18)26/h1-9,22-26H,(H,27,28)
InChIKeyAVEFAUDTSHGJQO-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)
violaceinic acid (CHEBI:90899) has role bacterial metabolite (CHEBI:76969)
violaceinic acid (CHEBI:90899) is a hydroxyindoles (CHEBI:84729)
violaceinic acid (CHEBI:90899) is a monocarboxylic acid (CHEBI:25384)
violaceinic acid (CHEBI:90899) is a pyrrolecarboxylic acid (CHEBI:26454)
violaceinic acid (CHEBI:90899) is conjugate acid of violaceinate (CHEBI:90900)
Incoming Relation(s)
violaceinate (CHEBI:90900) is conjugate base of violaceinic acid (CHEBI:90899)
IUPAC Name 
3-(2-hydroxy-1H-indol-3-yl)-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
Manual XrefsDatabases
CPD-14324MetaCyc
Citations