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CHEBI:80582 - trans-Homoaconitate

ChEBI IDCHEBI:80582
ChEBI Nametrans-Homoaconitate
Stars
DownloadsMolfile
FormulaC7H8O6
Net Charge0
Average Mass188.135
Monoisotopic Mass188.03209
SMILESO=C(O)/C=C(\CCC(=O)O)C(=O)O
InChIInChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/b4-3+
InChIKeyBJYPZFUWWJSAKC-ONEGZZNKSA-N
ChEBI Ontology
Outgoing Relation(s)
trans-Homoaconitate (CHEBI:80582) is a carbonyl compound (CHEBI:36586)
Synonym  Source
(E)-1,2,4-But-1-enetricarboxylic acidKEGG COMPOUND
Manual XrefsDatabases
C16579KEGG COMPOUND