| SpectraBase Spectrum ID |
9rDGoRrjCi4 |
| Name |
UDP glucuronate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
2616-64-0
3545-73-1
5918-40-1
14520-48-0
30329-32-9 |
| ChEBI ID |
17200 |
| Comments |
100 mM UDPglucuronate - Sigma U5625; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley. |
| Formula |
C15 H22 N2 O18 P2 |
| IUPAC Name |
(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| InChI |
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 |
| KEGG Compound ID |
C00167 |
| KEGG Pathways |
PATH: map00040 Pentose and glucuronate interconversions
PATH: map00500 Starch and sucrose metabolism
PATH: map00520 Nucleotide sugars metabolism |
| PubChem Compound ID |
17473 |
| 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 |
| Source File Reference |
bmse000292 |
