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| Ligand ID | Y45 |
| InChI | InChI=1S/C12H23O14P/c13-1-3-5(15)7(17)9(11(19)23-3)25-27(21,22)26-10-8(18)6(16)4(2-14)24-12(10)20/h3-20H,1-2H2,(H,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1 |
| InChIKey | DCDHSOINTWUWCZ-NCFXGAEVSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O)O)O | | CACTVS 3.385 | OC[CH]1O[CH](O)[CH](O[P](O)(=O)O[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH]1O | | OpenEye OEToolkits 2.0.7 | C(C1C(C(C(C(O1)O)OP(=O)(O)OC2C(C(C(OC2O)CO)O)O)O)O)O | | CACTVS 3.385 | OC[C@H]1O[C@H](O)[C@H](O[P](O)(=O)O[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O |
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| Formula | C12 H23 O14 P |
| Name | Agrocinopine D-like (C2-C2 linked;
with two alpha-D-glucopyranoses);
Agrocinopine D-like;
bis[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate;
D-glucose-2-phosphate-2-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8cay Chain A Residue 603
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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