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CHEBI:16383 - cis-aconitate(3−)

ChEBI IDCHEBI:16383
ChEBI Namecis-aconitate(3−)
Stars
ASCII Namecis-aconitate(3-)
DefinitionAn aconitate(3−) that is the conjugate base of cis-aconitic acid.
Secondary ChEBI IDsCHEBI:12798, CHEBI:23306
Last Modified21 January 2016
DownloadsMolfile
FormulaC6H3O6
Net Charge-3
Average Mass171.084
Monoisotopic Mass170.99461
SMILESO=C([O-])/C=C(/CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1-
InChIKeyGTZCVFVGUGFEME-IWQZZHSRSA-K
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
cis-aconitate(3−) (CHEBI:16383) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
cis-aconitate(3−) (CHEBI:16383) has role human metabolite (CHEBI:77746)
cis-aconitate(3−) (CHEBI:16383) is a aconitate(3−) (CHEBI:22210)
cis-aconitate(3−) (CHEBI:16383) is conjugate base of cis-aconitic acid (CHEBI:32805)
Incoming Relation(s)
cis-aconitic acid (CHEBI:32805) is conjugate acid of cis-aconitate(3−) (CHEBI:16383)
IUPAC Name 
(1Z)-prop-1-ene-1,2,3-tricarboxylate
UniProt Name  Source
cis-aconitateUniProt
Manual XrefsDatabases
C00417KEGG COMPOUND
CIS-ACONITATEMetaCyc
Registry NumbersSources
Gmelin:329168Gmelin