Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38172
Common Name:	Beta-Glycerophosphoric acid
Systematic Name:	[(1,3-dihydroxypropan-2-yl)oxy]phosphonic acid
RefMet Name:	sn-Glycero-2-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:	DHCLVCXQIBBOPH-UHFFFAOYSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
MoNA MS spectra:	View MS spectra
SMILES:	C(C(CO)OP(=O)(O)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	2526
CHEBI ID:	17270
HMDB ID:	HMDB0002520
KEGG ID:	C02979
Chemspider ID:	2431
METLIN ID:	6708
MetaCyc ID:	CPD-536
Plant Metabolite Hub(Pmhub):	MS000010053

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