Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	5773
Common Name:	MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0)
Systematic Name:	2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
Synonyms:	2-Arachidonoylglycerol; 2-Arachidonylglycerol; 2-AG [PubChem Synonyms]
Exact Mass:	378.2770 (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:	C23H38O4
InChIKey:	RCRCTBLIHCHWDZ-DOFZRALJSA-N
LIPID MAPS Category:	Glycerolipids [GL]
LIPID MAPS mainclass:	Monoradylglycerols [GL01]
LIPID MAPS subclass:	Monoacylglycerols [GL0101]
Massbank MS spectra:	View MS spectra
SMILES:	CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)OC(CO)CO
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5282280
LIPID MAPS ID:	LMGL01010023
CHEBI ID:	52392
HMDB ID:	HMDB0004666
KEGG ID:	C13856
Chemspider ID:	4445451
MetaCyc ID:	CPD-12600
Plant Metabolite Hub(Pmhub):	MS000003298

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