Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	58812
Common Name:	sn-glycero-3-phosphocholine
Systematic Name:	(2R)-2,3-dihydroxypropyl 2-(trimethylammonio)ethyl phosphate
RefMet Name:	sn-Glycero-3-phosphocholine
Synonyms:	Choline glycerophosphate; Cholini glycerophosphas; Glicerofosfato de colina; Glycerophosphate de choline; Glycerophosphocholine; Glycerophosphorylcholine; L-alpha-Glycerophosphorylcholine; L-alpha-Glycerylphosphorylcholine; sn-Glycero-3-phosphocholine; sn-glycero-3-phosphocholine [PubChem Synonyms]
Exact Mass:	257.1028 (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:	C8H20NO6P
InChIKey:	SUHOQUVVVLNYQR-MRVPVSSYSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O
Studies:	Available studies (via RefMet name)

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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