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CHEBI:87676 - (−)-car-4-ene

ChEBI IDCHEBI:87676
ChEBI Name(−)-car-4-ene
Stars
ASCII Name(-)-car-4-ene
DefinitionA 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).
Last Modified27 August 2015
Submitternamrata
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILES[H][C@@]12C=C[C@@H](C)C[C@]1([H])C2(C)C
InChIInChI=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
InChIKeyLGNSZMLHOYDATP-HLTSFMKQSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(−)-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 NumbersSources
Reaxys:6090913Reaxys