SLB
Summary
| Name: | N-acetyl-beta-neuraminic acid |
| Synonyms: | N-acetylneuraminic acid sialic acid; O-sialic acid; 5-N-ACETYL-BETA-D-NEURAMINIC ACID; BETA-SIALIC ACID |
| Formula: | C11 H19 N O9 |
| Formal charge: | 0 |
| Formula weight: | 309.27 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(acetylamino)-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
| GMML | 1.0 | DNeup5Acb |
| GMML | 1.0 | N-acetyl-b-D-neuraminic acid |
| PDB-CARE | 1.0 | b-D-Neup5Ac |
| GMML | 1.0 | Neu5Ac |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1 |
| InChIKey | InChI | 1.03 | SQVRNKJHWKZAKO-PFQGKNLYSA-N |
