Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	72243
Common Name:	1-Oleoylglycerol
Systematic Name:	1-O-(9Z-octadecenoyl)-sn-glycerol
RefMet Name:	MG 18:1(9Z)/0:0/0:0
Synonyms:	MG(18:1(9Z)/0:0/0:0) [PubChem Synonyms]
Exact Mass:	356.2927 (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:	C21H40O4
InChIKey:	RZRNAYUHWVFMIP-QJRAZLAKSA-N
LIPID MAPS Category:	Glycerolipids [GL]
LIPID MAPS mainclass:	Monoradylglycerols [GL01]
LIPID MAPS subclass:	Monoalkylglycerols [GL0102]
MoNA MS spectra:	View MS spectra
SMILES:	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	12178130
HMDB ID:	HMDB0011567
Plant Metabolite Hub(Pmhub):	MS000001937

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