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CHEBI:62078 - α-Neu5Ac-(2→8)-Neu5Ac
| Formula | C22H36N2O17 |
| Net Charge | 0 |
| Average Mass | 600.527 |
| Monoisotopic Mass | 600.20140 |
| SMILES | [H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@]2([H])OC(O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O |
| WURCS | WURCS=2.0/2,2,1/[Aad21122h-2x_2-6_5*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a8-b2 |
| InChI | InChI=1S/C22H36N2O17/c1-7(27)23-13-9(29)3-21(38,19(34)35)40-18(13)16(33)12(6-26)39-22(20(36)37)4-10(30)14(24-8(2)28)17(41-22)15(32)11(31)5-25/h9-18,25-26,29-33,38H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,21?,22+/m0/s1 |
| InChIKey | LWXBZLHHWJUOSV-LSLZQTMLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neu5Ac-(2→8)-Neu5Ac (CHEBI:62078) is a amino disaccharide (CHEBI:22480) |
| Incoming Relation(s) |
| α-Neup5Ac-(2→8)-α-Neup5Ac (CHEBI:62097) is a α-Neu5Ac-(2→8)-Neu5Ac (CHEBI:62078) |
| α-Neup5Ac-(2→8)-β-Neup5Ac (CHEBI:65099) is a α-Neu5Ac-(2→8)-Neu5Ac (CHEBI:62078) |
| IUPAC Name |
|---|
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid |
| Synonyms | Source |
|---|---|
| (6R)-5-(acetylamino)-6-[(1S,2R)-2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-ulopyranosonic acid | IUPAC |
| NeuAc(α2→8)NeuAc | ChEBI |
| NeuAc(α2-8)NeuAc | ChEBI |
| Citations |
|---|