CHEBI:87574 - (Z)-β-ocimene

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ChEBI Name (Z)-β-ocimene
ChEBI ID CHEBI:87574
ChEBI ASCII Name (Z)-beta-ocimene
Definition A β-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3Z-isomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB8502803, ZINC000001531619
Download Molfile XML SDF
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-NTMALXAHSA-N
SMILES CC(C)=CC\C=C(\C)C=C
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 (Z)-β-ocimene (CHEBI:87574) has role plant metabolite (CHEBI:76924)
(Z)-β-ocimene (CHEBI:87574) is a β-ocimene (CHEBI:10436)
IUPAC Name
(3Z)-3,7-dimethylocta-1,3,6-triene
Synonyms Sources
(Z)-β-ocimene UniProt
β-cis-ocimene NIST Chemistry WebBook
cis-3,7-dimethyl-1,3,6-octatriene NIST Chemistry WebBook
Registry Numbers Types Sources
1839944 Reaxys Registry Number Reaxys
3338-55-4 CAS Registry Number ChemIDplus
3338-55-4 CAS Registry Number NIST Chemistry WebBook
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Last Modified
17 September 2021