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| Ligand ID | V2V |
| InChI | InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1 |
| InChIKey | DPJKHFICSGCNIR-HRENORGGSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O | | OpenEye OEToolkits 2.0.7 | C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC(C(C(CO)O)O)O)O)O | | OpenEye OEToolkits 2.0.7 | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O | | CACTVS 3.385 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO)[CH](O)[CH]2O | | ACDLabs 12.01 | C1=CN(C(N=C1N)=O)C2C(C(C(COP(=O)(O)OP(=O)(O)OCC(C(C(CO)O)O)O)O2)O)O |
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| Formula | C14 H25 N3 O15 P2 |
| Name | CDP-ribitol;
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000008551233
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| PDB chain | 8va1 Chain B Residue 601
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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