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CHEBI:87676 - (−)-car-4-ene
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ChEBI Name
(−)-car-4-ene
ChEBI ID
CHEBI:87676
ChEBI ASCII Name
(-)-car-4-ene
Definition
A monoterpene that is bicyclo[4.1.0]hept-2-ene substituted by methyl groups at positions 4, 7 and 7 respectively (the 1
R
,4
S
,6
S
-stereoisomer).
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H16
Net Charge
0
Average Mass
136.234
Monoisotopic Mass
136.12520
InChI
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKey
LGNSZMLHOYDATP-HLTSFMKQSA-N
SMILES
C1=C[C@]2(C([C@]2(C[C@@H]1C)[H])(C)C)[H]
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(−)-car-4-ene (
CHEBI:87676
)
has parent hydride
carane (
CHEBI:35663
)
(−)-car-4-ene (
CHEBI:87676
)
has role
metabolite (
CHEBI:25212
)
(−)-car-4-ene (
CHEBI:87676
)
is a
monoterpene (
CHEBI:35187
)
IUPAC Name
(1
R
,4
S
,6
S
)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene
Registry Number
Type
Source
6090913
Reaxys Registry Number
Reaxys
Last Modified
27 August 2015