CHEBI:80582 - trans-Homoaconitate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans-Homoaconitate
ChEBI ID CHEBI:80582
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C7H8O6
Net Charge 0
Average Mass 188.13480
Monoisotopic Mass 188.03209
InChI InChI=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+
InChIKey BJYPZFUWWJSAKC-ONEGZZNKSA-N
SMILES OC(=O)CC\C(=C/C(O)=O)C(O)=O
ChEBI Ontology
Outgoing trans-Homoaconitate (CHEBI:80582) is a carbonyl compound (CHEBI:36586)
Synonym Source
(E)-1,2,4-But-1-enetricarboxylic acid KEGG COMPOUND
Manual Xref Database
C16579 KEGG COMPOUND
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