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CHEBI:59210 - α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp
| Formula | C34H56N2O27 |
| Net Charge | 0 |
| Average Mass | 924.809 |
| Monoisotopic Mass | 924.30704 |
| 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@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@@H]3O)(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=2.0/3,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-3/a4-b1_b3-c2_c8-d2 |
| InChI | InChI=1S/C34H56N2O27/c1-9(41)35-17-11(43)3-33(31(53)54,61-26(17)19(46)13(45)5-37)60-15(7-39)21(48)27-18(36-10(2)42)12(44)4-34(62-27,32(55)56)63-28-20(47)14(6-38)58-30(24(28)51)59-25-16(8-40)57-29(52)23(50)22(25)49/h11-30,37-40,43-52H,3-8H2,1-2H3,(H,35,41)(H,36,42)(H,53,54)(H,55,56)/t11-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28-,29+,30-,33+,34-/m0/s1 |
| InChIKey | IESOVNOGVZBLMG-BUZVEHKISA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:59210) is a acetamides (CHEBI:22160) |
| α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:59210) is a amino tetrasaccharide (CHEBI:59412) |
| α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:59210) is a dicarboxylic acid (CHEBI:35692) |
| Incoming Relation(s) |
| α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp-yl group (CHEBI:142532) is substituent group from α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:59210) |
| IUPAC Names |
|---|
| 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-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose |
| Neu5Aca2-8Neu5Aca2-3Galb1-4Glcb |
| Neu5Acα2-8Neu5Acα2-3Galβ1-4Glcβ |
| Synonyms | Source |
|---|---|
| GD3 carbohydrate moiety | ChEBI |
| α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc | ChEBI |
| α-N-acetylneuraminyl-(2→8)-α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucose | ChEBI |
| disialyllactose | ChEBI |
| N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucose | ChEBI |
| O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose | ChEBI |
| Citations |
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