CHEBI:63711 - sesquithujene

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ChEBI Name sesquithujene
ChEBI ID CHEBI:63711
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.35110
Monoisotopic Mass 204.18780
InChI InChI=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
InChIKey UCQHFDKBUHCAFR-KKUMJFAQSA-N
SMILES C[C@@H](CCC=C(C)C)[C@@]12CC=C(C)[C@@H]1C2
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 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
Synonyms Sources
(+)-(2S,6S,7S)-sesquithujene ChEBI
sesquithujene UniProt
Registry Number Type Source
21635491 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15075399 PubMed citation SUBMITTER
21516661 PubMed citation Europe PMC
Last Modified
31 January 2012