Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:61316 - (3
Z
)-hex-3-en-1-yl acetate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(3
Z
)-hex-3-en-1-yl acetate
ChEBI ID
CHEBI:61316
ChEBI ASCII Name
(3Z)-hex-3-en-1-yl acetate
Definition
An acetate ester that results from the formal condensation of acetic acid with (
Z
)-hex-3-en-1-ol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C8H14O2
Net Charge
0
Average Mass
142.196
Monoisotopic Mass
142.09938
InChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKey
NPFVOOAXDOBMCE-PLNGDYQASA-N
SMILES
CC/C=C\CCOC(C)=O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(3
Z
)-hex-3-en-1-yl acetate (
CHEBI:61316
)
has functional parent
(
Z
)-hex-3-en-1-ol (
CHEBI:28857
)
(3
Z
)-hex-3-en-1-yl acetate (
CHEBI:61316
)
has functional parent
acetic acid (
CHEBI:15366
)
(3
Z
)-hex-3-en-1-yl acetate (
CHEBI:61316
)
has role
metabolite (
CHEBI:25212
)
(3
Z
)-hex-3-en-1-yl acetate (
CHEBI:61316
)
is a
acetate ester (
CHEBI:47622
)
(3
Z
)-hex-3-en-1-yl acetate (
CHEBI:61316
)
is a
olefinic compound (
CHEBI:78840
)
IUPAC Name
(3
Z
)-hex-3-en-1-yl acetate
Synonyms
Sources
(3
Z
)-hex-3-en-1-yl acetate
UniProt
(
Z
)-3-hexen-1-yl acetate
NIST Chemistry WebBook
(
Z
)-3-hexenol acetate
NIST Chemistry WebBook
(
Z
)-3-hexenyl acetate
ChemIDplus
(
Z
)-hex-3-enyl acetate
NIST Chemistry WebBook
3
Z
-hexenyl acetate
NIST Chemistry WebBook
cis
-3-hexen-1-yl acetate
ChemIDplus
cis
-3-hexenyl acetate
ChemIDplus
cis
-3-hexenyl ethanoate
ChemIDplus
Registry Numbers
Types
Sources
1721854
Reaxys Registry Number
Reaxys
3681-71-8
CAS Registry Number
NIST Chemistry WebBook
3681-71-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10099363
PubMed citation
Europe PMC
17163881
PubMed citation
SUBMITTER
Last Modified
20 August 2016