Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	41519
Common Name:	Dihydroxyacetone Phosphate Acyl Ester
Systematic Name:	[3-(formyloxy)-2-oxopropoxy]phosphonic acid
RefMet Name:	Dihydroxyacetone Phosphate Acyl Ester
Synonyms:	[PubChem Synonyms]
Exact Mass:	197.9929 (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:	C4H7O7P
InChIKey:	IWFZHMQFZRLGDQ-UHFFFAOYSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbonyl compounds [C0001831]
ClassyFire direct parent:	O-acylglycerone-phosphates [C0003448]
SMILES:	C(C(=O)COP(=O)(O)O)OC=O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	6857386
CHEBI ID:	15835
HMDB ID:	HMDB0011750
KEGG ID:	C03372
Chemspider ID:	5256726
MetaCyc ID:	CPD-15923

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