CHEBI:49244 - (E,S)-α-bisabolene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E,S)-α-bisabolene
ChEBI ID CHEBI:49244
ChEBI ASCII Name (E,S)-alpha-bisabolene
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.35106
Monoisotopic Mass 204.18780
InChI InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+/t15-/m1/s1
InChIKey YHBUQBJHSRGZNF-KEQVLUGWSA-N
SMILES [H][C@@]1(CCC(C)=CC1)C(\C)=C\CC=C(C)C
ChEBI Ontology
Outgoing (E,S)-α-bisabolene (CHEBI:49244) is a (E)-α-bisabolene (CHEBI:49242)
(E,S)-α-bisabolene (CHEBI:49244) is enantiomer of (E,R)-α-bisabolene (CHEBI:49243)
Incoming (E,R)-α-bisabolene (CHEBI:49243) is enantiomer of (E,S)-α-bisabolene (CHEBI:49244)
IUPAC Names
(1S,9E)-bisabola-4,7(11),9-triene
(4S)-4-[(1E)-1,5-dimethylhexa-1,4-dien-1-yl]-1-methylcyclohexene
Registry Number Type Source
2414203 Beilstein Registry Number Beilstein
Last Modified
07 May 2008