CHEBI:87682 - (2E)-hex-2-en-1-yl propanoate

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ChEBI Name (2E)-hex-2-en-1-yl propanoate
ChEBI ID CHEBI:87682
ChEBI ASCII Name (2E)-hex-2-en-1-yl propanoate
Definition The propanoate ester of (2E)-hex-2-en-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H16O2
Net Charge 0
Average Mass 156.222
Monoisotopic Mass 156.11503
InChI InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+
InChIKey LPWKTEHEFDVAQS-VOTSOKGWSA-N
SMILES O(C/C=C/CCC)C(=O)CC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing (2E)-hex-2-en-1-yl propanoate (CHEBI:87682) has role metabolite (CHEBI:25212)
(2E)-hex-2-en-1-yl propanoate (CHEBI:87682) is a propanoate ester (CHEBI:36243)
IUPAC Name
(2E)-hex-2-en-1-yl propanoate
Synonym Source
trans-2-hexenyl propionate NIST Chemistry WebBook
Registry Numbers Types Sources
4243006 Reaxys Registry Number Reaxys
53398-80-4 CAS Registry Number ChemIDplus
53398-80-4 CAS Registry Number NIST Chemistry WebBook
Last Modified
27 August 2015