EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:143913 - (E)-hept-2-enoate

ChEBI IDCHEBI:143913
ChEBI Name(E)-hept-2-enoate
Stars
ASCII Name(E)-hept-2-enoate
DefinitionA monounsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (E)-hept-2-enoic acid. The major species at pH 7.3.
Last Modified23 August 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H11O2
Net Charge-1
Average Mass127.163
Monoisotopic Mass127.07645
SMILESCCCC/C=C/C(=O)[O-]
InChIInChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/p-1/b6-5+
InChIKeyYURNCBVQZBJDAJ-AATRIKPKSA-M
ChEBI Ontology
Outgoing Relation(s)
(E)-hept-2-enoate (CHEBI:143913) is a monounsaturated fatty acid anion (CHEBI:82680)
(E)-hept-2-enoate (CHEBI:143913) is conjugate base of (E)-hept-2-enoic acid (CHEBI:38364)
Incoming Relation(s)
(E)-hept-2-enoic acid (CHEBI:38364) is conjugate acid of (E)-hept-2-enoate (CHEBI:143913)
IUPAC Name 
(2E)-hept-2-enoate
Synonyms  Source
trans-hept-2-enoateChEBI
trans-2-heptenoateChEBI
UniProt Name  Source
(E)-hept-2-enoateUniProt