Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2086)
Drug Name
Dihydroxyacetone
Synonyms
Bis(hydroxymethyl) ketone; Chromelin; Dihydroxyacetone; Dihydroxyacetone [USP]; Dihyxal; Ketochromin; O10DDW6JOO; Oxantin; Oxatone; RXKJFZQQPQGTFL-UHFFFAOYSA-N; Soleal; Triulose; Viticolor; dihydroxy-acetone; glycerone; 1,2-Dihydroxy-2-propanone; 1,3-Dihydroxy-2-propanone; 1,3-Dihydroxydimethyl ketone; 1,3-Dihydroxypropan-2-one; 1,3-Dihydroxypropanone; 1,3-dihydroxyacetone; 2-Propanone, 1,3-dihydroxy; 2-Propanone, 1,3-dihydroxy-; 96-26-4; AI3-24477; BRN 1740268; CCRIS 4899; CHEBI:16016; EINECS 202-494-5; NSC-24343; Otan; UNII-O10DDW6JOO
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 90.08 Topological Polar Surface Area 57.5
Heavy Atom Count 6 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
670
ChEBI ID
CHEBI:16016
CAS Number
96-26-4
TTD Drug ID
D09KDV
Formula
C3H6O3
Canonical SMILES
OCC(=O)CO
InChI
1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKey
RXKJFZQQPQGTFL-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Dihydroxyacetone phosphate DM002135
668
Conjugation - Phosphorylation 1 [3]
Glyceraldehyde 3-phosphate DM003828
729
Unclear 1 [4]
Glycerophosphoric acid DM002134
754
Unclear 1 [4]
Glycerol DM003830
753
Unclear 2 [4]
PEP DM003258
1005
Unclear 2 [4]
PYR DM000331
107735
Unclear 3 [4]
Alanine DM003452
5950
Unclear 4 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004178 Dihydroxyacetone Glyceraldehyde 3-phosphate Unclear Unclear [4]
MR004182 Dihydroxyacetone Glycerol-3-phosphate Unclear Unclear [4]
MR004184 Dihydroxyacetone Dihydroxyacetone phosphate Conjugation - Phosphorylation Unclear [3]
MR004179 Glyceraldehyde 3-phosphate Phosphoenolpyruvate Unclear Unclear [4]
MR004183 Glycerol-3-phosphate Glycerol Unclear Unclear [4]
MR004180 Phosphoenolpyruvate Pyruvate Unclear Unclear [4]
MR004181 Pyruvate Alanine Unclear Unclear [4]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Triokinase/FMN cyclase (TKFC) DME0470 Homo sapiens
TKFC_HUMAN
4.6.1.15
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Triokinase/FMN cyclase (TKFC) DME0470 Km = 0.0099 microM
TKFC_HUMAN
[2]
References
1 DAILYMED.nlm.nih.gov: ALMAY HEALTH GLOW 3-IN-1 MAKEUP SPF 20- octinoxate, titanium dioxide, zinc oxide kit.
2 Bifunctional homodimeric triokinase/FMN cyclase: contribution of protein domains to the activities of the human enzyme and molecular dynamics simulation of domain movements. J Biol Chem. 2014 Apr 11;289(15):10620-36.
3 Analysis of glycerol and dihydroxyacetone metabolism in Enterococcus faecium
4 Probing hepatic metabolism of [2-(13)C]dihydroxyacetone in vivo with (1)H-decoupled hyperpolarized (13)C-MR

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