CHEBI:15708 - trans-aconitate(3−)

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ChEBI Name trans-aconitate(3−)
ChEBI ID CHEBI:15708
ChEBI ASCII Name trans-aconitate(3-)
Definition An aconitate(3−) that is the conjugate base of trans-aconitic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:27069, CHEBI:46108, CHEBI:12878, CHEBI:12869
Supplier Information
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Formula C6H3O6
Net Charge -3
Average Mass 171.08442
Monoisotopic Mass 170.993
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)/p-3/b3-1+
InChIKey GTZCVFVGUGFEME-HNQUOIGGSA-K
SMILES [O-]C(=O)C\C(=C/C([O-])=O)C([O-])=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): fundamental metabolite
Any metabolite produced by all living cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-aconitate(3−) (CHEBI:15708) has role fundamental metabolite (CHEBI:78675)
trans-aconitate(3−) (CHEBI:15708) is a aconitate(3−) (CHEBI:22210)
trans-aconitate(3−) (CHEBI:15708) is conjugate base of trans-aconitic acid (CHEBI:32806)
Incoming trans-aconitic acid (CHEBI:32806) is conjugate acid of trans-aconitate(3−) (CHEBI:15708)
IUPAC Name
(1E)-prop-1-ene-1,2,3-tricarboxylate
Synonyms Sources
ACONITATE ION PDBeChem
trans-aconitate UniProt
Database Links Databases
C02341 KEGG COMPOUND
DB04351 DrugBank
TRA PDBeChem
View more database links
Registry Numbers Types Sources
329167 Gmelin Registry Number Gmelin
3907462 Beilstein Registry Number Beilstein
Last Modified
21 January 2016