| SpectraBase Spectrum ID |
Iqv6cblSeAw |
| Name |
2'-Deoxyguanosine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
38559-49-8 |
| ChEBI ID |
17172 |
| Comments |
saturated N/A 2'_Deoxyguanosine - vendor: Sigma d7145; 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 |
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one; 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one |
| InChI |
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1 |
| InChIKey |
YKBGVTZYEHREMT-KVQBGUIXSA-N |
| KEGG Compound ID |
C00330 |
| KEGG Pathways |
PATH: map00230 Purine metabolism |
| PubChem Compound ID |
187790 |
| SMILES |
C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O |
| Source File Reference |
bmse000003 |
