CHEBI:32805 - cis-aconitic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cis-aconitic acid
ChEBI ID CHEBI:32805
ChEBI ASCII Name cis-aconitic acid
Definition The cis-isomer of aconitic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10482, CHEBI:23308
Supplier Information
Save molfile Download Molfile
Formula C6H6O6
Net Charge 0
Average Mass 174.10824
Monoisotopic Mass 174.016
InChI InChI=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-
InChIKey GTZCVFVGUGFEME-IWQZZHSRSA-N
SMILES OC(=O)C\C(=C\C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): fundamental metabolite
Any metabolite produced by all living cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(Z)-1-propene-1,2,3-tricarboxylic acid ChemIDplus
cis-1-propene-1,2,3-tricarboxylic acid ChemIDplus
cis-Aconitic acid KEGG COMPOUND
Database Links Databases
C00001177 KNApSAcK
C00417 KEGG COMPOUND
CIS-ACONITATE MetaCyc
HMDB00072 HMDB
View more database links
Registry Numbers Types Sources
1725829 Beilstein Registry Number Beilstein
1725829 Reaxys Registry Number Reaxys
585-84-2 CAS Registry Number KEGG COMPOUND
585-84-2 CAS Registry Number ChemIDplus
Last Modified
23 October 2015