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| Ligand ID | KFN |
| InChI | InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1 |
| InChIKey | IZHMZNLAOQHCDZ-LRGKAINGSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | C1=C(OC(C(C1O)O)C(C(CO)O)O)C(=O)O | | CACTVS 3.352 | OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O | | OpenEye OEToolkits 1.6.1 | C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O | | CACTVS 3.352 | OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1O)C(O)=O |
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| Formula | C9 H14 O8 |
| Name | 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid;
(4S,5R,6R)-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000044167182
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| PDB chain | 7p1f Chain B Residue 501
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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