Metabolomics Structure Database

 
MW REGNO: 28114
Common Name:alpha-Terpinene
Systematic Name:1-methyl-4-propan-2-ylcyclohexa-1,3-diene
RefMet Name:alpha-Terpinene
Synonyms: [PubChem Synonyms]
Exact Mass:
136.1252 (neutral)    Calculate m/z:
Formula:C10H16
InChIKey:YHQGMYUVUMAZJR-UHFFFAOYSA-N
LIPID MAPS Category:Prenol Lipids [PR]
LIPID MAPS mainclass:Isoprenoids [PR01]
LIPID MAPS subclass:C10 isoprenoids (monoterpenes) [PR0102]
LIPID MAPS level4class:Menthane monoterpenoids [LMPR010209]
Massbank MS spectra:View MS spectra
SMILES:CC(C)C1=CC=C(C)CC1
Studies:Available studies (via RefMet name)

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References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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