63700-19-6 , UDP-D-glucuronide trisodium salt, UDPGA ,
CAS:63700-19-6
UDP-GlcA
Uridine 5'-diphosphoglucuronic acid trisodium salt
UDPGA
Uridine-diphosphate-glucuronic acid trisodium salt
MFCD03452710
C15H19N2Na3O18P2
646.24
UDP-GlcA
Substrate for glucuronosyltransferases.
CAS Number | 63700-19-6 |
Product Name | Uridine 5'-diphosphoglucuronic acid trisodium salt |
IUPAC Name | trisodium;6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylate |
Molecular Formula | C15H19N2Na3O18P2 |
Molecular Weight | 646.23 g/mol |
InChI | InChI=1S/C15H22N2O18P2.3Na/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);;;/q;3*+1/p-3 |
InChI Key | XXXUNWUNTOMVIG-QWGSIYABSA-K |
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.[Na+].[Na+].[Na+] |
Synonyms | α-D-Glucopyranuronic Acid 1→P’-Ester With Uridine 5’-(Trihydrogen Diphosphate) Trisodium Salt; α-D-Glucopyranuronic Acid 1→P’-Ester With Uridine 5’-(Trihydrogen Diphosphate) Sodium Salt (1:3) |
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.[Na+].[Na+].[Na+] |
Isomeric SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)O)O.[Na+].[Na+].[Na+] |
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