EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:38364 - (E)-hept-2-enoic acid

ChEBI IDCHEBI:38364
ChEBI Name(E)-hept-2-enoic acid
Stars
ASCII Name(E)-hept-2-enoic acid
DefinitionA 2-heptenoic acid having the trans configuration.
Last Modified23 August 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
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)/b6-5+
InChIKeyYURNCBVQZBJDAJ-AATRIKPKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-hept-2-enoic acid (CHEBI:38364) has functional parent (E)-hept-2-enal (CHEBI:143912)
(E)-hept-2-enoic acid (CHEBI:38364) is a 2-heptenoic acid (CHEBI:36152)
(E)-hept-2-enoic acid (CHEBI:38364) is conjugate acid of (E)-hept-2-enoate (CHEBI:143913)
Incoming Relation(s)
(2E,6R)-6-hydroxyhept-2-enoic acid (CHEBI:78831) has functional parent (E)-hept-2-enoic acid (CHEBI:38364)
(2Z)-3-bromohept-2-enoic acid (CHEBI:34329) has functional parent (E)-hept-2-enoic acid (CHEBI:38364)
(E)-hept-2-enoate (CHEBI:143913) is conjugate base of (E)-hept-2-enoic acid (CHEBI:38364)
IUPAC Name 
(2E)-hept-2-enoic acid
Synonyms  Source
(E)-hept-2-enoic acidChemIDplus
hept-2t-enoic acidChEBI
Hept-2t-ensäureChEBI
trans-Hept-2-ensäureChEBI
(E)-2-heptenoic acidChEBI
trans-hept-2-enoic acidChEBI
Manual XrefsDatabases
LMFA01030012LIPID MAPS
HMDB0031484HMDB
FDB014141FooDB
Registry NumbersSources
Reaxys:1720909Reaxys
CAS:10352-88-2ChemIDplus