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:88820 - (
E
)-2-octene
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(
E
)-2-octene
ChEBI ID
CHEBI:88820
ChEBI ASCII Name
(E)-2-octene
Definition
A 2-octene in which the double bond adopts a
trans
-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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
C8H16
Net Charge
0
Average Mass
112.216
Monoisotopic Mass
112.12520
InChI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKey
ILPBINAXDRFYPL-HWKANZROSA-N
SMILES
CCCCC\C=C\C
Metabolite of Species
Details
Zea mays
(NCBI:txid4577)
Identified in corn oil. See:
DOI
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
2-octene
)
mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
(via
2-octene
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
E
)-2-octene (
CHEBI:88820
)
has role
human metabolite (
CHEBI:77746
)
(
E
)-2-octene (
CHEBI:88820
)
has role
plant metabolite (
CHEBI:76924
)
(
E
)-2-octene (
CHEBI:88820
)
is a
2-octene (
CHEBI:167529
)
IUPAC Name
(2
E
)-oct-2-ene
Synonyms
Sources
(2
E
)-2-octene
NIST Chemistry WebBook
(
E
)-oct-2-ene
NIST Chemistry WebBook
trans
-2-octene
NIST Chemistry WebBook
trans
-oct-2-ene
ChemIDplus
Manual Xrefs
Databases
4516601
ChemSpider
CPD-23213
MetaCyc
HMDB0061904
HMDB
View more database links
Registry Numbers
Types
Sources
13389-42-9
CAS Registry Number
ChemIDplus
13389-42-9
CAS Registry Number
NIST Chemistry WebBook
1719497
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16525878
PubMed citation
Europe PMC
17314143
PubMed citation
Europe PMC
19156283
PubMed citation
Europe PMC
23180447
PubMed citation
Europe PMC
23670813
PubMed citation
Europe PMC
23822166
PubMed citation
Europe PMC
24234610
PubMed citation
Europe PMC
24421258
PubMed citation
Europe PMC
25710595
PubMed citation
Europe PMC
26134888
PubMed citation
Europe PMC
26174418
PubMed citation
Europe PMC
Last Modified
22 February 2021