KDN
Summary
| Name: | deamino-beta-neuraminic acid |
| Synonyms: | beta-deaminoneuraminic acid 3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid; sialic acid |
| Formula: | C9 H16 O9 |
| Formal charge: | 0 |
| Formula weight: | 268.218 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
| GMML | 1.0 | DKdnpb |
| GMML | 1.0 | 2-keto-3-deoxy-b-D-nonulopyranosic acid |
| PDB-CARE | 1.0 | b-D-Kdnp |
| GMML | 1.0 | Kdn |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(O)OC(C(O)C(O)CO)C(O)C(O)C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)O)O |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | CLRLHXKNIYJWAW-YOQZMRDMSA-N |
