beta-sesquiphellandrene (CHEBI:64361)

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ChEBI Name	β-sesquiphellandrene

ChEBI ID	CHEBI:64361

ChEBI ASCII Name	beta-sesquiphellandrene

Definition	A sesquiterpene that is cyclohexene in which the hydrogens at position 6 are replaced by a methylidene group and in which the pro-R hydrogen at position 3 is replaced by a (2S)-6-methylhept-5-en-2-yl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.35110

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1

InChIKey

PHWISBHSBNDZDX-LSDHHAIUSA-N

SMILES

[H][C@@]1(CCC(=C)C=C1)[C@@H](C)CCC=C(C)C

Metabolite of Species	Details
Zingiber officinale (NCBI:txid94328)	Found in rhizome (BTO:0001181). Dried rhizomes See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	β-sesquiphellandrene (CHEBI:64361) has role plant metabolite (CHEBI:76924) β-sesquiphellandrene (CHEBI:64361) is a alicyclic compound (CHEBI:33654) β-sesquiphellandrene (CHEBI:64361) is a sesquiterpene (CHEBI:35189)

IUPAC Name

(3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene

Synonyms	Sources
(−)-(6R,7S)-sesquiphellandrene	ChEBI
(−)-β-sesquiphellandrene	ChEBI
(-)-beta-Sesquiphellandrene	KEGG COMPOUND
(R)-3-methylene-6-[(S)-6-methylhept-5-en-2-yl]-cyclohex-1-ene	ChEBI
beta-sesquiphellandrene	SUBMITTER
β-sesquiphellandrene	UniProt

Last Modified

25 March 2015

General Comment
2012-04-10	Needed for the reaction (2E,6E)-farnesyl diphosphate = β-sesquiphellandrene + diphosphate