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:88863 - (
E
)-3-octene
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(
E
)-3-octene
ChEBI ID
CHEBI:88863
ChEBI ASCII Name
(E)-3-octene
Definition
A 3-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/h5,7H,3-4,6,8H2,1-2H3/b7-5+
InChIKey
YCTDZYMMFQCTEO-FNORWQNLSA-N
SMILES
CCCC\C=C\CC
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
E
)-3-octene (
CHEBI:88863
)
has role
human metabolite (
CHEBI:77746
)
(
E
)-3-octene (
CHEBI:88863
)
is a
3-octene (
CHEBI:167526
)
IUPAC Name
(3
E
)-oct-3-ene
Synonyms
Sources
(3
E
)-3-octene
NIST Chemistry WebBook
(
E
)-oct-3-ene
NIST Chemistry WebBook
trans
-3-octene
NIST Chemistry WebBook
trans
-oct-3-ene
ChEBI
Manual Xrefs
Databases
553784
ChemSpider
HMDB0061906
HMDB
View more database links
Registry Numbers
Types
Sources
14919-01-8
CAS Registry Number
NIST Chemistry WebBook
14919-01-8
CAS Registry Number
ChemIDplus
1719386
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16839061
PubMed citation
Europe PMC
16939244
PubMed citation
Europe PMC
17314143
PubMed citation
Europe PMC
17602534
PubMed citation
Europe PMC
19156283
PubMed citation
Europe PMC
24421258
PubMed citation
Europe PMC
Last Modified
22 February 2021