EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88589 - (E)-3-dodecene

ChEBI IDCHEBI:88589
ChEBI Name(E)-3-dodecene
Stars
ASCII Name(E)-3-dodecene
DefinitionA 3-dodecene in which the double bond adopts a trans-configuration.
Last Modified23 February 2021
DownloadsMolfile
FormulaC12H24
Net Charge0
Average Mass168.324
Monoisotopic Mass168.18780
SMILESCC/C=C/CCCCCCCC
InChIInChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h5,7H,3-4,6,8-12H2,1-2H3/b7-5+
InChIKeyWLTSXAIICPDFKI-FNORWQNLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) PubMed (24421258)
urine (BTO:0001419) PubMed (181179) Found in the urine of an infant with congenital lactic acidosis.
- PubMed (22932429) Found in breath.
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(E)-3-dodecene (CHEBI:88589) has role human metabolite (CHEBI:77746)
(E)-3-dodecene (CHEBI:88589) has role human urinary metabolite (CHEBI:84087)
(E)-3-dodecene (CHEBI:88589) is a 3-dodecene (CHEBI:167553)
IUPAC Name 
(3E)-dodec-3-ene
Synonyms  Source
trans-3-dodeceneNIST Chemistry WebBook
(E)-dodec-3-eneChEBI
(3E)-3-dodeceneNIST Chemistry WebBook
trans-dodec-3-eneChEBI
Manual XrefsDatabases
HMDB0061821HMDB
4515291ChemSpider
Registry NumbersSources
CAS:7206-14-6NIST Chemistry WebBook
Citations