Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37088
Common Name:	Glycerol 3-phosphate
Systematic Name:	[(2R)-2,3-dihydroxypropoxy]phosphonic acid
RefMet Name:	sn-Glycero-3-phosphate
Synonyms:	[PubChem Synonyms]
Exact Mass:	172.0137 (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:	C3H9O6P
InChIKey:	AWUCVROLDVIAJX-GSVOUGTGSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C([C@H](COP(=O)(O)O)O)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:	439162
CHEBI ID:	15978
HMDB ID:	HMDB0000126
KEGG ID:	C00093
Chemspider ID:	388308
METLIN ID:	5161
MetaCyc ID:	GLYCEROL-3P
NP-MRD ID(NMR):	NP0000128
Plant Metabolite Hub(Pmhub):	MS000001068

Calculated physicochemical properties (?):

Heavy Atoms:	10
Rings:	0
Aromatic Rings:	0
Rotatable Bonds:	4
van der Waals Molecular volume:	133.03 Å3 molecule-1
Toplogical Polar Sufrace Area:	107.22 Å2 molecule-1
Hydrogen Bond Donors:	4
Hydrogen Bond Acceptors:	6
logP:	-0.35
Molar Refractivity:	32.31
Fraction sp3 Carbons:	1.00
sp3 Carbons:	3

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite

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