Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	63588
Common Name:	sn-glycero-3-phosphoserine
Systematic Name:	O-{[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}-L-serine
RefMet Name:	sn-Glycero-3-phosphoserine
Synonyms:	sn-glycerol 3-phosphoserine; sn-glyceryl-3-phosphoserine; glycerophosphoserine [PubChem Synonyms]
Exact Mass:	259.0457 (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:	C6H14NO8P
InChIKey:	ZWZWYGMENQVNFU-UHNVWZDZSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
SMILES:	C([C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	444182
CHEBI ID:	64945
HMDB ID:	HMDB0252850

Calculated physicochemical properties (?):

Heavy Atoms:	16
Rings:	0
Aromatic Rings:	0
Rotatable Bonds:	8
van der Waals Molecular volume:	210.87 Å3 molecule-1
Toplogical Polar Sufrace Area:	159.54 Å2 molecule-1
Hydrogen Bond Donors:	5
Hydrogen Bond Acceptors:	8
logP:	-0.52
Molar Refractivity:	52.79
Fraction sp3 Carbons:	0.83
sp3 Carbons:	5

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