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CHEBI:64280 - (E)-β-ocimene

ChEBI IDCHEBI:64280
ChEBI Name(E)-β-ocimene
Stars
ASCII Name(E)-beta-ocimene
DefinitionA β-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3E-isomer).
Last Modified23 October 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILESC=C/C(C)=C/CC=C(C)C
InChIInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
InChIKeyIHPKGUQCSIINRJ-CSKARUKUSA-N
Species of MetaboliteComponentSourceComments
Pinus pinea (ncbitaxon:3346) - PubMed (12428002)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(E)-β-ocimene (CHEBI:64280) has role plant metabolite (CHEBI:76924)
(E)-β-ocimene (CHEBI:64280) is a β-ocimene (CHEBI:10436)
IUPAC Name 
(3E)-3,7-dimethylocta-1,3,6-triene
Synonyms  Source
3,7-dimethyl-1,3E,6-octatrieneLIPID MAPS
trans-beta-OcimeneChemIDplus
trans-3,7-dimethylocta-1,3,6-trieneChEBI
(E)-3,7-dimethylocta-1,3,6-trieneChEBI
UniProt Name  Source
(E)-β-ocimeneUniProt
Manual XrefsDatabases
CPD-4889MetaCyc
LMPR0102010021LIPID MAPS
US2011165115Patent
C09873KEGG COMPOUND
C00029335KNApSAcK
1390BPDB
Registry NumbersSources
Reaxys:1839945Reaxys
CAS:3779-61-1ChemIDplus
CAS:13877-91-3KEGG COMPOUND
Citations