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CHEBI:63711 - sesquithujene

ChEBI IDCHEBI:63711
ChEBI Namesesquithujene
Stars
DefinitionA sesquiterpene that consists of (1S,5R)-2-methylbicyclo[3.1.0]hex-2-ene having a (2S)-6-methylhept-5-en-2-yl group attached at position 5.
Last Modified31 January 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC(C)=CCC[C@H](C)[C@@]12CC=C(C)[C@@H]1C2
InChIInChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13-,14-,15-/m0/s1
InChIKeyUCQHFDKBUHCAFR-KKUMJFAQSA-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)
sesquithujene (CHEBI:63711) has role metabolite (CHEBI:25212)
sesquithujene (CHEBI:63711) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1S,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hex-2-ene
Synonym  Source
(+)-(2S,6S,7S)-sesquithujeneChEBI
UniProt Name  Source
sesquithujeneUniProt
Registry NumbersSources
Reaxys:21635491Reaxys
Citations