| SpectraBase Spectrum ID |
BlQlsxJFuhU |
| Name |
Adenosine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
46946-45-6
46969-16-8
58-61-7 |
| ChEBI ID |
16335 |
| Comments |
saturated N/A adenosine - vendor: Sigma a9251; 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 |
C10H13N5O4 |
| IUPAC Name |
(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
| InChI |
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
| InChIKey |
OIRDTQYFTABQOQ-KQYNXXCUSA-N |
| KEGG Compound ID |
C00212 |
| KEGG Pathways |
PATH: map00230 Purine metabolism
PATH: map04080 Neuroactive ligand-receptor interaction |
| PubChem Compound ID |
60961 |
| SMILES |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O |
| Source File Reference |
bmse000061 |
