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CHEBI:62097 - α-Neup5Ac-(2→8)-α-Neup5Ac
| 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])O[C@@](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=2.0/1,2,1/[Aad21122h-2a_2-6_5*NCC/3=O]/1-1/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-VCVJBUKQSA-N |
| Roles Classification |
|---|
| Biological Role: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neup5Ac-(2→8)-α-Neup5Ac (CHEBI:62097) has role epitope (CHEBI:53000) |
| α-Neup5Ac-(2→8)-α-Neup5Ac (CHEBI:62097) is a α-Neu5Ac-(2→8)-Neu5Ac (CHEBI:62078) |
| Incoming Relation(s) |
| α-N-acetylneuraminyl-(2→8)-α-N-acetylneuraminyl group (CHEBI:75130) is substituent group from α-Neup5Ac-(2→8)-α-Neup5Ac (CHEBI:62097) |
| IUPAC Names |
|---|
| (6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranosonic acid |
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acid |
| (6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-α-L-threo-hex-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-β-L-threo-hex-2-ulopyranosonic acid | IUPAC |
| α-NeupNAc-(2→8)-α-NeupNAc | ChEBI |
| NeuAc(α2-8)NeuAc | ChEBI |
| NeuAc(α2→8)NeuAc | ChEBI |
| α-NeuAc-(2→8)-α-NeuAc | ChEBI |
| DS | ChEBI |
| Citations |
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