Terminology Service for NFDI4Health
(2E)-but-2-ene-1,2,3-tricarboxylate
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http://purl.obolibrary.org/obo/CHEBI_58915
Tricarboxylate anion of of (2E)-but-2-ene-1,2,3-tricarboxylic acid.
Term info
Label
(2E)-but-2-ene-1,2,3-tricarboxylate
Synonyms
- (2E)-but-2-ene-1,2,3-tricarboxylate
Subsets
3_STAR
charge
-3
formula
C7H5O6
has obo namespace
chebi_ontology
has related synonym
2-methyl-trans-aconitate, (1E)-1-methylprop-1-ene-1,2,3-tricarboxylate, trans-2-methylaconitate
id
CHEBI:58915
inchi
InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/b4-3+
inchikey
NUZLRKBHOBPTQV-ONEGZZNKSA-K
mass
185.11100
monoisotopicmass
185.01026
smiles
C\C(C([O-])=O)=C(\CC([O-])=O)C([O-])=O