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CHEBI:10334 - α-terpinene

ChEBI IDCHEBI:10334
ChEBI Nameα-terpinene
Stars
ASCII Namealpha-terpinene
DefinitionOne of three isomeric monoterpenes differing in the positions of their two double bonds (β- and γ-terpinene being the others). In α-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton.
Last Modified4 April 2019
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILESCC1=CC=C(C(C)C)CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
InChIKeyYHQGMYUVUMAZJR-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Melaleuca alternifolia (ncbitaxon:164405) leaf (BTO:0000713) PubMed (16418522)
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
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 Relation(s)
α-terpinene (CHEBI:10334) has role plant metabolite (CHEBI:76924)
α-terpinene (CHEBI:10334) has role volatile oil component (CHEBI:27311)
α-terpinene (CHEBI:10334) is a cyclohexadiene (CHEBI:37613)
α-terpinene (CHEBI:10334) is a monoterpene (CHEBI:35187)
Incoming Relation(s)
tea tree oil (CHEBI:83629) has part α-terpinene (CHEBI:10334)
IUPAC Name 
1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene
Synonyms  Source
1-isopropyl-4-methyl-1,3-cyclohexadieneChemIDplus
1-Methyl-4-(1-methylethyl)-1,3-cyclohexadieneChemIDplus
alpha-TerpineneKEGG COMPOUND
p-Mentha-1,3-dieneChemIDplus
TerpileneChemIDplus
UniProt Name  Source
α-terpineneUniProt
Manual XrefsDatabases
2014BPDB
C00003060KNApSAcK
C09898KEGG COMPOUND
HMDB0036995HMDB
LMPR0102090026LIPID MAPS
TerpineneWikipedia
WO2010099985Patent
Registry NumbersSources
Reaxys:1853379Reaxys
CAS:99-86-5KEGG COMPOUND
CAS:99-86-5ChemIDplus
Citations