CHEBI:32806 - trans-aconitic acid

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ChEBI Name trans-aconitic acid
ChEBI ID CHEBI:32806
ChEBI ASCII Name trans-aconitic acid
Definition The trans-isomer of aconitic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10719, CHEBI:27070
Supplier Information
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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-HNQUOIGGSA-N
SMILES OC(=O)C\C(=C/C(O)=O)C(O)=O
Metabolite of Species Details
Daphnia magna (NCBI:35525) See: Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268
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 trans-aconitic acid (CHEBI:32806) has role fundamental metabolite (CHEBI:78675)
trans-aconitic acid (CHEBI:32806) is a aconitic acid (CHEBI:22211)
trans-aconitic acid (CHEBI:32806) is conjugate acid of trans-aconitate(3−) (CHEBI:15708)
Incoming trans-aconitate(3−) (CHEBI:15708) is conjugate base of trans-aconitic acid (CHEBI:32806)
IUPAC Name
(1E)-prop-1-ene-1,2,3-tricarboxylic acid
Synonyms Sources
(1E)-1-propene-1,2,3-tricarboxylic acid ChemIDplus
(E)-1-propene-1,2,3-tricarboxylic acid ChemIDplus
trans-Aconitic acid KEGG COMPOUND
Database Links Databases
C02341 KEGG COMPOUND
CPD-225 MetaCyc
ECMDB00958 ECMDB
HMDB00958 HMDB
TRA PDBeChem
YMDB00340 YMDB
View more database links
Registry Numbers Types Sources
1606182 Gmelin Registry Number Gmelin
1725830 Reaxys Registry Number Reaxys
1725830 Beilstein Registry Number Beilstein
4023-65-8 CAS Registry Number KEGG COMPOUND
4023-65-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16662564 PubMed citation Europe PMC
17747267 PubMed citation Europe PMC
21670527 PubMed citation Europe PMC
2597432 PubMed citation Europe PMC
3339476 PubMed citation Europe PMC
6625167 PubMed citation Europe PMC
Last Modified
23 October 2015