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CHEBI:32805 - cis-aconitic acid

ChEBI IDCHEBI:32805
ChEBI Namecis-aconitic acid
Stars
ASCII Namecis-aconitic acid
DefinitionThe cis-isomer of aconitic acid.
Secondary ChEBI IDsCHEBI:10482, CHEBI:23308
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H6O6
Net Charge0
Average Mass174.108
Monoisotopic Mass174.01644
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)/b3-1-
InChIKeyGTZCVFVGUGFEME-IWQZZHSRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
cis-aconitic acid (CHEBI:32805) has role fundamental metabolite (CHEBI:78675)
cis-aconitic acid (CHEBI:32805) is a aconitic acid (CHEBI:22211)
cis-aconitic acid (CHEBI:32805) is conjugate acid of cis-aconitate(3−) (CHEBI:16383)
Incoming Relation(s)
cis-aconitate(3−) (CHEBI:16383) is conjugate base of cis-aconitic acid (CHEBI:32805)
IUPAC Name 
(1Z)-prop-1-ene-1,2,3-tricarboxylic acid
Synonyms  Source
cis-Aconitic acidKEGG COMPOUND
cis-1-propene-1,2,3-tricarboxylic acidChemIDplus
(Z)-1-propene-1,2,3-tricarboxylic acidChemIDplus
Manual XrefsDatabases
C00001177KNApSAcK
C00417KEGG COMPOUND
CIS-ACONITATEMetaCyc
HMDB0000072HMDB
Registry NumbersSources
Reaxys:1725829Reaxys
CAS:585-84-2KEGG COMPOUND
CAS:585-84-2ChemIDplus