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CHEBI:36740 - α-pinene

ChEBI IDCHEBI:36740
ChEBI Nameα-pinene
Stars
ASCII Namealpha-pinene
DefinitionA pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively.
Secondary ChEBI IDsCHEBI:10326, CHEBI:22467
Last Modified25 July 2019
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILESCC1=CCC2CC1C2(C)C
InChIInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChIKeyGRWFGVWFFZKLTI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
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-pinene (CHEBI:36740) has role plant metabolite (CHEBI:76924)
α-pinene (CHEBI:36740) is a pinene (CHEBI:17187)
Incoming Relation(s)
myrtenic acid (CHEBI:25459) has functional parent α-pinene (CHEBI:36740)
α-pinene oxide (CHEBI:29060) has parent hydride α-pinene (CHEBI:36740)
(+)-α-pinene (CHEBI:28261) is a α-pinene (CHEBI:36740)
(−)-α-pinene (CHEBI:28660) is a α-pinene (CHEBI:36740)
IUPAC Names 
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
pin-2-ene
Synonyms  Source
alpha-PineneKEGG COMPOUND
(±)-2-pineneUM-BBD
2-pineneChemIDplus
acintene ANIST Chemistry WebBook
pin-2(3)-eneUM-BBD
(±)-α-pineneUM-BBD
UniProt Name  Source
α-pineneUniProt
Manual XrefsDatabases
C09880KEGG COMPOUND
c0634UM-BBD
LMPR0102120017LIPID MAPS
Alpha-pineneMetaCyc
Alpha-PineneWikipedia
C00000805KNApSAcK
2017BPDB
Registry NumbersSources
Reaxys:3194807Reaxys
CAS:80-56-8KEGG COMPOUND
CAS:2437-95-8KEGG COMPOUND
CAS:80-56-8NIST Chemistry WebBook
CAS:80-56-8ChemIDplus
Citations