| SpectraBase Spectrum ID |
H56xFaPnaNk |
| Name |
ADP |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
58-64-0
84412-16-8 |
| ChEBI ID |
16761 |
| Comments |
100 mM ADP monosodium salt - vendor: Calzyme 13598925; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C10H15N5O10P2 |
| IUPAC Name |
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid; [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid |
| InChI |
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 |
| InChIKey |
XTWYTFMLZFPYCI-KQYNXXCUSA-N |
| KEGG Compound ID |
C00008 |
| KEGG Pathways |
PATH: map00190 Oxidative phosphorylation
PATH: map00195 Photosynthesis
PATH: map00230 Purine metabolism
PATH: map04080 Neuroactive ligand-receptor interaction |
| PubChem Compound ID |
6022 |
| SMILES |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O |
| Source File Reference |
bmse000004 |
