| SpectraBase Spectrum ID |
BMj26RmEbwu |
| Name |
dADP |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
2793-06-8 |
| ChEBI ID |
16174 |
| Comments |
100 mM dADP - P-L Biochemicals 1788; 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 O9 P2 |
| IUPAC Name |
[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid; [[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid |
| InChI |
InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7-/m0/s1 |
| InChIKey |
DAEAPNUQQAICNR-XVMARJQXSA-N |
| KEGG Compound ID |
C00206 |
| KEGG Pathways |
PATH: map00230 Purine metabolism |
| PubChem Compound ID |
188966 |
| SMILES |
C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)O)O |
| Source File Reference |
bmse000253 |
