| SpectraBase Spectrum ID |
J00cVoLArK7 |
| Name |
2'-Deoxyguanosine 5'-triphosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
2564-35-4 |
| ChEBI ID |
16497 |
| Comments |
saturated N/A 2'-Deoxyguanosine 5'-triphosphate Dilithium salt - vendor: Fluka 22705203; 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 |
C10 H17 N5 O13 P3 |
| IUPAC Name |
[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid; [[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid |
| InChI |
InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 |
| InChIKey |
HAAZLUGHYHWQIW-KVQBGUIXSA-N |
| KEGG Compound ID |
C00286 |
| KEGG Pathways |
PATH: map00230 Purine metabolism |
| PubChem Compound ID |
65103 |
| SMILES |
C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| Source File Reference |
bmse000210 |
