Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:87574 - (
Z
)-β-ocimene
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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 3
Z
-isomer).
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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
(3
Z
)-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
Citation
Type
Source
25653784
PubMed citation
Europe PMC
Last Modified
17 September 2021