| PDB CCD ID: | T4P |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C13 H21 N4 O11 P |
| InChI: | InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7-,9-/m1/s1 |
| InChIKey: | KPHFGOGGKPGLTM-ZXFLCMHBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O | | CACTVS 3.341 | OC[CH](O)[CH](O)[CH](O)CN1C(=O)N(CCCO[P](O)(O)=O)C2=C1NC(=O)NC2=O | | CACTVS 3.341 | OC[C@@H](O)[C@H](O)[C@H](O)CN1C(=O)N(CCCO[P](O)(O)=O)C2=C1NC(=O)NC2=O | | OpenEye OEToolkits 1.5.0 | C(CN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O)COP(=O)(O)O | | ACDLabs 10.04 | O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO |
|
| Name: | 3-{2,6,8-TRIOXO-9-[(2R,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE |
| DrugBank: | DB03973 |
| ZINC: | ZINC000032304140 |
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