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

General Information of Drug (ID: DR2098)
Drug Name
Cholini alfosceras
Synonyms
Alfoscerate de choline; Alfoscerato de colina; Choline Alfoscerate; Choline Alphoscerate; Choline glycerophosphate; Glycerophosphorylcholine; Cholini glycerophosphas; Glicerofosfato de colina; Glycerol phosphorylcholine; Glycerophosphate de choline; Glycerophosphocholine; L-alpha-Glycerophosphocholine; L-alpha-Glycerophosphorylcholine; L-alpha-Glycerylphosphorylcholine; SN-glycero-3-phosphocholine; Sn-3-GPC; alpha-Glycerophosphorylcholine; glycerol-3-phosphocholine; 28319-77-9; GPCho; UNII-60M22SGW66
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 257.22 Topological Polar Surface Area 99
Heavy Atom Count 16 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
657272
ChEBI ID
CHEBI:16870
CAS Number
28319-77-9
Formula
C8H20NO6P
Canonical SMILES
C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O
InChI
1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1
InChIKey
SUHOQUVVVLNYQR-MRVPVSSYSA-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
Choline DM003230
305
Unclear 1 [3]
TMA DM004199
1146
Unclear 1 [3]
TMAO DM000264
1145
Oxidation - Oxidationn 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012943 Cholini alfosceras TMA Unclear cutC [3]
MR012945 Cholini alfosceras Choline Unclear Unclear [3]
MR012944 TMA TMAO Oxidation - Oxidationn Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Choline glycerophosphodiester phosphodiesterase (ENPP6) DME0530 Homo sapiens
ENPP6_HUMAN
3.1.4.3
[2]
PF03932 family protein CutC (cutC) DMEN222 Proteus mirabilis
CUTC_PROMH
Not Available [3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Choline glycerophosphodiester phosphodiesterase (ENPP6) DME0530 Km = 0.344 microM
ENPP6_HUMAN
[2]
References
1 DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (id: DB04660)
2 Biochemical and molecular characterization of a novel choline-specific glycerophosphodiester phosphodiesterase belonging to the nucleotide pyrophosphatase/phosphodiesterase family. J Biol Chem. 2005 Jun 17;280(24):23084-93.
3 The Nutritional Supplement L-Alpha Glycerylphosphorylcholine Promotes Atherosclerosis

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