EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:88863 - (E)-3-octene

ChEBI IDCHEBI:88863
ChEBI Name(E)-3-octene
Stars
ASCII Name(E)-3-octene
DefinitionA 3-octene in which the double bond adopts a trans-configuration.
Last Modified22 February 2021
DownloadsMolfile
FormulaC8H16
Net Charge0
Average Mass112.216
Monoisotopic Mass112.12520
SMILESCC/C=C/CCCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyYCTDZYMMFQCTEO-FNORWQNLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) PubMed (24421258)
faeces (UBERON:0001988) PubMed (17314143)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(E)-3-octene (CHEBI:88863) has role human metabolite (CHEBI:77746)
(E)-3-octene (CHEBI:88863) is a 3-octene (CHEBI:167526)
IUPAC Name 
(3E)-oct-3-ene
Synonyms  Source
trans-3-octeneNIST Chemistry WebBook
(3E)-3-octeneNIST Chemistry WebBook
(E)-oct-3-eneNIST Chemistry WebBook
trans-oct-3-eneChEBI
Manual XrefsDatabases
HMDB0061906HMDB
553784ChemSpider
Registry NumbersSources
Reaxys:1719386Reaxys
CAS:14919-01-8NIST Chemistry WebBook
CAS:14919-01-8ChemIDplus
Citations