| SpectraBase Spectrum ID |
7IAOcJHcm1W |
| Name |
Adenosine-3'-monophosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
84-21-9 |
| ChEBI ID |
28931 |
| Comments |
Adenosine-3'-monophosphate - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference 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 |
| Formula |
C10 H14 N5 O7 P |
| IUPAC Name |
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate; [(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate |
| InChI |
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 |
| InChIKey |
LNQVTSROQXJCDD-KQYNXXCUSA-N |
| KEGG Compound ID |
C01367 |
| KEGG Pathways |
PATH: ko00230 Purine metabolism |
| PubChem Compound ID |
41211 |
| SMILES |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)OP(=O)(O)O)O |
| Source File Reference |
bmse000349 |
