| PDB CCD ID: | 1XL |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H16 N4 O7 |
| InChI: | InChI=1S/C12H16N4O7/c17-3-5-1-16(2-6(19)9(21)7(20)4-18)10-8(13-5)11(22)15-12(23)14-10/h1,6-7,9,17-21H,2-4H2,(H,15,22,23)/t6-,7-,9+/m1/s1 |
| InChIKey: | RTNMDIMJQSRAGT-BHNWBGBOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[CH](O)[CH](O)[CH](O)CN1C=C(CO)N=C2C(=O)NC(=O)N=C12 | | ACDLabs 12.01 | O=C1C2=NC(=CN(C2=NC(=O)N1)CC(O)C(O)C(O)CO)CO | | OpenEye OEToolkits 1.7.6 | C1=C(N=C2C(=O)NC(=O)N=C2N1CC(C(C(CO)O)O)O)CO | | OpenEye OEToolkits 1.7.6 | C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@H]([C@@H]([C@@H](CO)O)O)O)CO | | CACTVS 3.385 | OC[C@@H](O)[C@@H](O)[C@H](O)CN1C=C(CO)N=C2C(=O)NC(=O)N=C12 |
|
| Name: | 1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-arabinitol |
| ZINC: | ZINC000095920632 |
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