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CHEBI:90900 - violaceinate

ChEBI IDCHEBI:90900
ChEBI Nameviolaceinate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of violaceinic 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
FormulaC21H14N3O4
Net Charge-1
Average Mass372.360
Monoisotopic Mass372.09898
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)/p-1
InChIKeyAVEFAUDTSHGJQO-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Chromobacterium violaceum (ncbitaxon:536) - PubMed (21779844)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
violaceinate (CHEBI:90900) has role bacterial metabolite (CHEBI:76969)
violaceinate (CHEBI:90900) is a monocarboxylic acid anion (CHEBI:35757)
violaceinate (CHEBI:90900) is conjugate base of violaceinic acid (CHEBI:90899)
Incoming Relation(s)
violaceinic acid (CHEBI:90899) is conjugate acid of violaceinate (CHEBI:90900)
UniProt Name  Source
violaceinateUniProt
Manual XrefsDatabases
CPD-14324MetaCyc
Citations