Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	28184
Common Name:	(+)-sabinene
Systematic Name:	(1R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane (1R,5R)-thuj-4(10)-ene
RefMet Name:	Sabinene
Synonyms:	(1R,5R)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane [PubChem Synonyms]
Exact Mass:	136.1252 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H16
InChIKey:	NDVASEGYNIMXJL-NXEZZACHSA-N
LIPID MAPS Category:	Prenol Lipids [PR]
LIPID MAPS mainclass:	Isoprenoids [PR01]
LIPID MAPS subclass:	C10 isoprenoids (monoterpenes) [PR0102]
LIPID MAPS level4class:	Bicyclic monoterpenoids [LMPR010212]
SMILES:	CC(C)[C@@]12CCC(=C)[C@H]2C1
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	10887971
LIPID MAPS ID:	LMPR0102120036
CHEBI ID:	50029
HMDB ID:	HMDB0036076
Chemspider ID:	9063235

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