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 1R,4S,6S-stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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.
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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
(1R,4S,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene
Registry Number Type Source
6090913 Reaxys Registry Number Reaxys
Last Modified
27 August 2015