EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H25N10O11P |
| Net Charge | 0 |
| Average Mass | 612.453 |
| Monoisotopic Mass | 612.14419 |
| SMILES | Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)[C@H]3O)c2n1 |
| InChI | InChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(33)10(32)7(40-18)2-38-42(36,37)41-13-6(1-31)39-19(12(13)34)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 |
| InChIKey | PBWYGOYNGCCLAU-INFSMZHSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| GpA (CHEBI:165825) is a nucleoside analogue (CHEBI:60783) |
| GpA (CHEBI:165825) is a purines (CHEBI:26401) |
| IUPAC Name |
|---|
| (2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Manual Xrefs | Databases |
|---|---|
| 83986 | ChemSpider |