RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0016372
RefMet name	Dihydroxyacetone Phosphate Acyl Ester
Systematic name	[3-(formyloxy)-2-oxopropoxy]phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	197.992943 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C4H7O7P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	41519 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H7O7P/c5-3-10-1-4(6)2-11-12(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKey	IWFZHMQFZRLGDQ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(=O)COP(=O)(O)O)OC=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic oxygen compounds
Main Class	Carbonyl compounds
Sub Class	Other carbonyl compounds
Distribution of Dihydroxyacetone Phosphate Acyl Ester in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Dihydroxyacetone Phosphate Acyl Ester
External Links
Pubchem CID	6857386
ChEBI ID	15835
KEGG ID	C03372
HMDB ID	HMDB0011750
Chemspider ID	5256726
MetaCyc ID	CPD-15923
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Dihydroxyacetone Phosphate Acyl Ester

Rxn ID	KEGG Reaction	Enzyme
R01013	Acyl-CoA + Glycerone phosphate <=> CoA + Acylglycerone phosphate	Acyl-CoA:glycerone-phosphate O-acyltransferase
R04311	Acylglycerone phosphate + Long-chain alcohol <=> O-Alkylglycerone phosphate + Long-chain acid anion	1-Acyl-glycerone-3-phosphate:long-chain-alcohol O-3-phospho-2-oxopropanyltransferase

Table of KEGG human pathways containing Dihydroxyacetone Phosphate Acyl Ester

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	1
hsa00565	Ether lipid metabolism	1