EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H25N10O10P |
| Net Charge | 0 |
| Average Mass | 596.454 |
| Monoisotopic Mass | 596.14927 |
| SMILES | Nc1nc(=O)c2ncn([C@H]3C[C@H](OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(=O)nc(N)nc65)C[C@@H]4O)[C@@H](CO)O3)c2n1 |
| InChI | InChI=1S/C20H25N10O10P/c21-19-25-15-13(17(33)27-19)23-5-29(15)11-1-7(32)10(39-11)4-37-41(35,36)40-8-2-12(38-9(8)3-31)30-6-24-14-16(30)26-20(22)28-18(14)34/h5-12,31-32H,1-4H2,(H,35,36)(H3,21,25,27,33)(H3,22,26,28,34)/t7-,8-,9+,10+,11+,12+/m0/s1 |
| InChIKey | KGXGIPRRDQWVET-WGWHJZDNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dGpdG (CHEBI:165816) is a nucleoside analogue (CHEBI:60783) |
| dGpdG (CHEBI:165816) is a purines (CHEBI:26401) |
| IUPAC Name |
|---|
| (2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Manual Xrefs | Databases |
|---|---|
| 416532 | ChemSpider |