NGF
Summary
| Name: | 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid |
| Synonyms: | N-glycolylneuraminic acid, ketone form |
| Formula: | C11 H19 N O10 |
| Formal charge: | 0 |
| Formula weight: | 325.269 Da |
| Component type: | D-SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid |
| OpenEye OEToolkits | 1.7.6 | (4S,5R,6R,7S,8R)-4,6,7,8,9-pentakis(oxidanyl)-5-(2-oxidanylethanoylamino)-2-oxidanylidene-nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=O)CC(O)C(NC(=O)CO)C(O)C(O)C(O)CO |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO10/c13-2-6(17)9(19)10(20)8(12-7(18)3-14)4(15)1-5(16)11(21)22/h4,6,8-10,13-15,17,19-20H,1-3H2,(H,12,18)(H,21,22)/t4-,6+,8+,9+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | SUHQNCLNRUAGOO-KQCZLNONSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](NC(=O)CO)[C@@H](O)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.370 | OC[CH](O)[CH](O)[CH](O)[CH](NC(=O)CO)[CH](O)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(C(C(C(CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O |
