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CHEBI:90909 - deoxyviolaceinic acid

ChEBI IDCHEBI:90909
ChEBI Namedeoxyviolaceinic 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 an indol-3-yl group.
Last Modified12 July 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H15N3O3
Net Charge0
Average Mass357.369
Monoisotopic Mass357.11134
SMILESO=C(O)c1nc(-c2cnc3ccccc23)cc1-c1c(O)nc2ccccc12
InChIInChI=1S/C21H15N3O3/c25-20-18(12-6-2-4-8-16(12)24-20)13-9-17(23-19(13)21(26)27)14-10-22-15-7-3-1-5-11(14)15/h1-10,22-25H,(H,26,27)
InChIKeyYNGCGCMGWQFYIK-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)
deoxyviolaceinic acid (CHEBI:90909) has role bacterial metabolite (CHEBI:76969)
deoxyviolaceinic acid (CHEBI:90909) is a hydroxyindoles (CHEBI:84729)
deoxyviolaceinic acid (CHEBI:90909) is a monocarboxylic acid (CHEBI:25384)
deoxyviolaceinic acid (CHEBI:90909) is a pyrrolecarboxylic acid (CHEBI:26454)
deoxyviolaceinic acid (CHEBI:90909) is conjugate acid of deoxyviolaceinate (CHEBI:90910)
Incoming Relation(s)
deoxyviolaceinate (CHEBI:90910) is conjugate base of deoxyviolaceinic acid (CHEBI:90909)
IUPAC Name 
3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
Manual XrefsDatabases
CPD-14323MetaCyc
Citations