Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	41317
Common Name:	LysoPE(0:0/16:1(9Z))
Systematic Name:	(2-aminoethoxy)[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropoxy]phosphinic acid
RefMet Name:	LPE 0:0/16:1(9Z)
Synonyms:	[PubChem Synonyms]
Exact Mass:	451.2699 (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:	C21H42NO7P
InChIKey:	MAFRHGZTIOAXEL-WHXUGTBJSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphoethanolamines [GP02]
LIPID MAPS subclass:	Monoacylglycerophosphoethanolamines [GP0205]
SMILES:	CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	53480923
LIPID MAPS ID:	LMGP02050037
CHEBI ID:	145248
HMDB ID:	HMDB0011474
Chemspider ID:	24769355

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