| SpectraBase Spectrum ID |
F2UQjqOwWTa |
| Name |
GDP |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
2577-83-5
146-91-8 |
| ChEBI ID |
17552 |
| Comments |
100 mM GDP - Sigma G-7127; 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 |
C10 H15 N5 O11 P2 |
| IUPAC Name |
[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid; [[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid |
| InChI |
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 |
| InChIKey |
QGWNDRXFNXRZMB-UUOKFMHZSA-N |
| KEGG Compound ID |
C00035 |
| KEGG Pathways |
PATH: map00230 Purine metabolism |
| PubChem Compound ID |
8977 |
| SMILES |
C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N |
| Source File Reference |
bmse000270 |
