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

General Information of Drug (ID: DR2134)
Drug Name
UDP-glucuronate
Synonyms
UDP-D-glucuronate; UDP-alpha-D-glucuronate; UDP-alpha-D-glucuronic acid; UDP-glucuronic acid; UDPglucuronate; Udp glucuronic acid; Udp-glucuronic acid; Uridine diphosphoglucuronic acid; Uridinediphosphoglucuronic acid; udp-glcua; 04SZC4MEFQ; 2616-64-0; CHEBI:17200; CHEMBL228057; UDPGA; UNII-04SZC4MEFQ; URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID; Uridine 5'-diphospho-glucuronic acid; Uridine 5'-diphosphoglucuronic acid; uridine diphosphate glucuronic acid
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 580.28 Topological Polar Surface Area 309
Heavy Atom Count 37 Rotatable Bond Count 9
Hydrogen Bond Donor Count 9 Hydrogen Bond Acceptor Count 18
Cross-matching ID
PubChem CID
17473
PubChem SID
3467 ; 837291 ; 841355 ; 6436278 ; 7890983 ; 8145724 ; 8163087 ; 15932622 ; 24902502 ; 29285212 ; 53776881 ; 53788522 ; 57304739 ; 57329784 ; 78260467 ; 85165096 ; 103516229 ; 104342557 ; 125003537 ; 125003542 ; 125003544 ; 125267527 ; 126523689 ; 134981783 ; 135651587 ; 137244581 ; 160660760 ; 163727003 ; 198976871
ChEBI ID
CHEBI:17200
CAS Number
2616-64-0
TTD Drug ID
D0O8AN
Formula
C15H22N2O18P2
Canonical SMILES
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O
InChI
1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
InChIKey
HDYANYHVCAPMJV-LXQIFKJMSA-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
Glucuronate 1-phosphate DM004101
25244365
Unclear 1 [6]
UDP-GalA DM004102
131873989
Unclear 1 [3]
UDP-xylose DM004103
19235
Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004479 UDP-glucuronate Glucuronate 1-phosphate Unclear Unclear [6]
MR004480 UDP-glucuronate UDP-GalA Unclear moeE5 [3]
MR004481 UDP-glucuronate UDP-xylose Unclear UGDH [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Chondroitin sulfate glucuronyltransferase (CHPF2) DME0490 Homo sapiens
CHPF2_HUMAN
2.4.1.226
[2]
MoeE5 (moeE5) DMEN211 Streptomyces viridosporus
A0A003_STRVD
Not Available [3]
UDP-glucose 6-dehydrogenase (UGDH) DME0465 Homo sapiens
UGDH_HUMAN
1.1.1.22
[4]
UDP-glucuronosyltransferase 1A4 (UGT1A4) DME0048 Homo sapiens
UD14_HUMAN
2.4.1.17
[5]
UDP-glucuronosyltransferase 1A6 (UGT1A6) DME0072 Homo sapiens
UD16_HUMAN
2.4.1.17
[5]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Chondroitin sulfate glucuronyltransferase (CHPF2) DME0490 Km = 0.0824 microM
CHPF2_HUMAN
[2]
UDP-glucuronosyltransferase 1A4 (UGT1A4) DME0048 Km = 0.00025 microM
UD14_HUMAN
[5]
UDP-glucuronosyltransferase 1A6 (UGT1A6) DME0072 Km = 0.00025 microM
UD16_HUMAN
[5]
References
1 The IUPHAR/BPS Guide to PHARMACOLOGY in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY. Nucleic Acids Res. 2020 Jan 8;48(D1):D1006-D1021. (Ligand id: 1784).
2 Molecular cloning and characterization of a novel chondroitin sulfate glucuronyltransferase that transfers glucuronic acid to N-acetylgalactosamine. J Biol Chem. 2002 Oct 11;277(41):38179-88.
3 Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate
4 UDP-glucuronate decarboxylase, a key enzyme in proteoglycan synthesis: cloning, characterization, and localization
5 Identification of aspartic acid and histidine residues mediating the reaction mechanism and the substrate specificity of the human UDP-glucuronosyltransferases 1A. J Biol Chem. 2007 Dec 14;282(50):36514-24.
6 Glucuronate, the precursor of vitamin C, is directly formed from UDP-glucuronate in liver

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.