Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	72245
Common Name:	1-Octadecylglycerol
Systematic Name:	1-O-octadecyl-sn-glycerol
RefMet Name:	MG O-18:0
Synonyms:	Batyl alcohol; MG(O-18:0/0:0/0:0) [PubChem Synonyms]
Exact Mass:	344.3290 (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:	C21H44O3
InChIKey:	OGBUMNBNEWYMNJ-NRFANRHFSA-N
LIPID MAPS Category:	Glycerolipids [GL]
LIPID MAPS mainclass:	Monoradylglycerols [GL01]
LIPID MAPS subclass:	Monoalkylglycerols [GL0102]
SMILES:	CCCCCCCCCCCCCCCCCCOC[C@H](CO)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	10860876
LIPID MAPS ID:	LMGL01020033
CHEBI ID:	74001
HMDB ID:	HMDB0011143
Plant Metabolite Hub(Pmhub):	MS000015612

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