CHEBI:61316 - (3Z)-hex-3-en-1-yl acetate

ChEBI IDCHEBI:61316
ChEBI Name(3Z)-hex-3-en-1-yl acetate
Stars
ASCII Name(3Z)-hex-3-en-1-yl acetate
DefinitionAn acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol.
Last Modified20 August 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H14O2
Net Charge0
Average Mass142.198
Monoisotopic Mass142.09938
SMILESCC/C=C\CCOC(C)=O
InChIInChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKeyNPFVOOAXDOBMCE-PLNGDYQASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(3Z)-hex-3-en-1-yl acetate (CHEBI:61316) has functional parent (Z)-hex-3-en-1-ol (CHEBI:28857)
(3Z)-hex-3-en-1-yl acetate (CHEBI:61316) has functional parent acetic acid (CHEBI:15366)
(3Z)-hex-3-en-1-yl acetate (CHEBI:61316) has role metabolite (CHEBI:25212)
(3Z)-hex-3-en-1-yl acetate (CHEBI:61316) is a acetate ester (CHEBI:47622)
(3Z)-hex-3-en-1-yl acetate (CHEBI:61316) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(3Z)-hex-3-en-1-yl acetate
Synonyms  Source
3Z-hexenyl acetateNIST Chemistry WebBook
cis-3-hexen-1-yl acetateChemIDplus
cis-3-hexenyl acetateChemIDplus
cis-3-hexenyl ethanoateChemIDplus
(Z)-3-hexen-1-yl acetateNIST Chemistry WebBook
(Z)-3-hexenol acetateNIST Chemistry WebBook
UniProt Name  Source
(3Z)-hex-3-en-1-yl acetateUniProt
Registry NumbersSources
Reaxys:1721854Reaxys
CAS:3681-71-8ChemIDplus
CAS:3681-71-8NIST Chemistry WebBook
Citations