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| Ligand ID | KDM |
| InChI | InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9+/m0/s1 |
| InChIKey | CLRLHXKNIYJWAW-LSRLBZCKSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O | | OpenEye OEToolkits 1.6.1 | C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)O)O | | CACTVS 3.352 | OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O | | CACTVS 3.352 | OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C[C@H](O)[C@H]1O)C(O)=O |
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| Formula | C9 H16 O9 |
| Name | deamino-alpha-neuraminic acid;
alpha-deaminoneuraminic acid;
3-deoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
sialic acid;
(2R,4S,5R,6R)-2,4,5-TRIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC-ACID |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000004521632
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| PDB chain | 2xzi Chain B Residue 501
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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