| SpectraBase Spectrum ID |
xbbJJzXPOu |
| Name |
CDP |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
63-38-7 |
| ChEBI ID |
17239 |
| Comments |
mM CDP - P-L Biochemicals 213001; 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 |
C9 H15 N3 O11 P2 |
| IUPAC Name |
[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid; [[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid |
| InChI |
InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
| InChIKey |
ZWIADYZPOWUWEW-XVFCMESISA-N |
| KEGG Compound ID |
C00112 |
| KEGG Pathways |
PATH: map00240 Pyrimidine metabolism |
| PubChem Compound ID |
6132 |
| SMILES |
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O |
| Source File Reference |
bmse000272 |
