CHEBI:35710 - pinane

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ChEBI Name pinane
ChEBI ID CHEBI:35710
Definition A monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H18
Net Charge 0
Average Mass 138.24992
Monoisotopic Mass 138.141
InChI InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKey XOKSLPVRUOBDEW-UHFFFAOYSA-N
SMILES CC1CCC2CC1C2(C)C
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.
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ChEBI Ontology
Outgoing pinane (CHEBI:35710) has role plant metabolite (CHEBI:76924)
pinane (CHEBI:35710) is a carbobicyclic compound (CHEBI:36785)
pinane (CHEBI:35710) is a monoterpene (CHEBI:35187)
pinane (CHEBI:35710) is a terpenoid fundamental parent (CHEBI:35662)
Incoming pinane monoterpenoid (CHEBI:26133) has parent hydride pinane (CHEBI:35710)
pinene (CHEBI:17187) has parent hydride pinane (CHEBI:35710)
IUPAC Names
2,6,6-trimethylbicyclo[3.1.1]heptane
pinane
Synonym Source
dihydropinene NIST Chemistry WebBook
Database Link Database
LMPR0102120026 LIPID MAPS
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Registry Numbers Types Sources
1847301 Reaxys Registry Number Reaxys
1847301 Beilstein Registry Number Beilstein
473-55-2 CAS Registry Number ChemIDplus
473-55-2 CAS Registry Number NIST Chemistry WebBook
Last Modified
08 May 2014