Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37815
Common Name:	Dihydroxyacetone phosphate
Systematic Name:	(3-hydroxy-2-oxopropoxy)phosphonic acid
RefMet Name:	Dihydroxyacetone phosphate
Synonyms:	[PubChem Synonyms]
Exact Mass:	169.9980 (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:	C3H7O6P
InChIKey:	GNGACRATGGDKBX-UHFFFAOYSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Monosaccharide phosphates [C0001541]
Massbank MS spectra:	View MS spectra
SMILES:	OCC(=O)COP(O)(O)=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	668
CHEBI ID:	16108
HMDB ID:	HMDB0001473
KEGG ID:	C00111
Chemspider ID:	648
METLIN ID:	6262
MetaCyc ID:	DIHYDROXY-ACETONE-PHOSPHATE
Plant Metabolite Hub(Pmhub):	MS000008523

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