Structure Database (LMSD)

Common Name
(E)-beta-ocimene
Systematic Name
3,7-dimethyl-1,3E,6-octatriene
Synonyms
LM ID
LMPR0102010021
Formula
C10H16
Exact Mass
Calculate m/z
136.1252
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Arabidopsis thaliana (#3702)
Magnoliopsida (#3398)
Functional identification of AtTPS03 as (E)-beta-ocimene synthase: a monoterpene synthase catalyzing jasmonate- and wound-induced volatile formation in Arabidopsis thaliana.,
Planta, 2003
Pubmed ID: 12624761

String Representations

InChiKey (Click to copy)
IHPKGUQCSIINRJ-CSKARUKUSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
SMILES (Click to copy)
C(=C(/C=C)\C)\C/C=C(/C)\C

Other Databases

KEGG ID
C09873
HMDB ID
HMDB0030089
CHEBI ID
64280
PubChem CID
5281553
Cayman ID
23466

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 173.64
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.48
Molar Refractivity 48.00

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Updated at
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