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:143526 - (2
E
)-oct-2-enoate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(2
E
)-oct-2-enoate
ChEBI ID
CHEBI:143526
ChEBI ASCII Name
(2E)-oct-2-enoate
Definition
A monounsaturated fatty acid anion that is the conjugate base of (2
E
)-oct-2-enoic acid. Major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Elisabeth COUDERT
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C8H13O2
Net Charge
-1
Average Mass
141.191
Monoisotopic Mass
141.09210
InChI
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/p-1/b7-6+
InChIKey
CWMPPVPFLSZGCY-VOTSOKGWSA-M
SMILES
C(/C=C/CCCCC)(=O)[O-]
ChEBI Ontology
Outgoing
(2
E
)-oct-2-enoate (
CHEBI:143526
)
is a
medium-chain fatty acid anion (
CHEBI:59558
)
(2
E
)-oct-2-enoate (
CHEBI:143526
)
is a
monounsaturated fatty acid anion (
CHEBI:82680
)
(2
E
)-oct-2-enoate (
CHEBI:143526
)
is conjugate base of
(2
E
)-oct-2-enoic acid (
CHEBI:86544
)
Incoming
(2
E
)-oct-2-enoic acid (
CHEBI:86544
)
is conjugate acid of
(2
E
)-oct-2-enoate (
CHEBI:143526
)
IUPAC Name
(2
E
)-oct-2-enoate
Synonym
Source
(2
E
)-octenoate
UniProt
Citation
Type
Source
17382292
PubMed citation
SUBMITTER
Last Modified
19 July 2019