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CHEBI:167529 - 2-octene

Default Structure
ChEBI IDCHEBI:167529
ChEBI Name2-octene
Stars
DefinitionAn octene that is octane containing one double bond at position 2.
Last Modified22 February 2021
SubmitterAdnan
DownloadsMolfile
FormulaC8H16
Net Charge0
Average Mass112.216
Monoisotopic Mass112.12520
SMILES[H]C(C)=C([H])CCCCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3
InChIKeyILPBINAXDRFYPL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Equus caballus (ncbitaxon:9796) faeces (UBERON:0001988) PubMed (30976468) Identified in the faeces of pregnant mares.
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (17314143)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
2-octene (CHEBI:167529) has role human metabolite (CHEBI:77746)
2-octene (CHEBI:167529) has role mammalian metabolite (CHEBI:75768)
2-octene (CHEBI:167529) is a octene (CHEBI:46709)
2-octene (CHEBI:167529) is a volatile organic compound (CHEBI:134179)
Incoming Relation(s)
(E)-2-octene (CHEBI:88820) is a 2-octene (CHEBI:167529)
(Z)-2-octene (CHEBI:88819) is a 2-octene (CHEBI:167529)
IUPAC Name 
oct-2-ene
Synonym  Source
octene-2NIST Chemistry WebBook
Manual XrefsDatabases
7834ChemSpider
FDB005971FooDB
HMDB0061904HMDB
Registry NumbersSources
CAS:111-67-1ChemIDplus
CAS:111-67-1NIST Chemistry WebBook
Citations