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> Main
CHEBI:64280 - (
E
)-β-ocimene
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ChEBI Ontology
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ChEBI Name
(
E
)-β-ocimene
ChEBI ID
CHEBI:64280
ChEBI ASCII Name
(E)-beta-ocimene
Definition
A β-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3
E
-isomer).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C10H16
Net Charge
0
Average Mass
136.23400
Monoisotopic Mass
136.12520
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
InChIKey
IHPKGUQCSIINRJ-CSKARUKUSA-N
SMILES
CC(C)=CC\C=C(/C)C=C
Metabolite of Species
Details
Pinus pinea
(NCBI:txid3346)
See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
ocimene
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
E
)-β-ocimene (
CHEBI:64280
)
has role
plant metabolite (
CHEBI:76924
)
(
E
)-β-ocimene (
CHEBI:64280
)
is a
β-ocimene (
CHEBI:10436
)
IUPAC Name
(3
E
)-3,7-dimethylocta-1,3,6-triene
Synonyms
Sources
(
E
)-3,7-dimethylocta-1,3,6-triene
ChEBI
(
E
)-β-ocimene
UniProt
3,7-dimethyl-1,3E,6-octatriene
LIPID MAPS
trans
-3,7-dimethylocta-1,3,6-triene
ChEBI
trans-beta-Ocimene
ChemIDplus
Manual Xrefs
Databases
1390
BPDB
C00029335
KNApSAcK
C09873
KEGG COMPOUND
CPD-4889
MetaCyc
LMPR0102010021
LIPID MAPS
US2011165115
Patent
View more database links
Registry Numbers
Types
Sources
13877-91-3
CAS Registry Number
KEGG COMPOUND
1839945
Reaxys Registry Number
Reaxys
3779-61-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
12428002
PubMed citation
Europe PMC
12624761
PubMed citation
SUBMITTER
17260255
PubMed citation
Europe PMC
17334921
PubMed citation
Europe PMC
19347799
PubMed citation
Europe PMC
19538549
PubMed citation
Europe PMC
19634337
PubMed citation
Europe PMC
19634338
PubMed citation
Europe PMC
20378980
PubMed citation
Europe PMC
20575390
PubMed citation
Europe PMC
20839643
PubMed citation
Europe PMC
21213991
PubMed citation
Europe PMC
21425693
PubMed citation
Europe PMC
21815435
PubMed citation
Europe PMC
22224304
PubMed citation
Europe PMC
Last Modified
23 October 2015