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CHEBI:156541 - β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp(2−)
| Formula | C48H77N3O37 |
| Net Charge | -2 |
| Average Mass | 1288.128 |
| Monoisotopic Mass | 1287.42469 |
| 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](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@H](CO)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(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 |
| InChI | InChI=1S/C48H79N3O37/c1-12(58)49-23-15(61)4-47(45(74)75,86-38(23)26(64)17(63)6-52)85-20(9-55)29(67)39-24(50-13(2)59)16(62)5-48(87-39,46(76)77)88-40-34(72)44(82-35-21(10-56)78-41(73)32(70)31(35)69)81-22(11-57)36(40)83-42-25(51-14(3)60)37(28(66)19(8-54)79-42)84-43-33(71)30(68)27(65)18(7-53)80-43/h15-44,52-57,61-73H,4-11H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)(H,74,75)(H,76,77)/p-2/t15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29+,30-,31+,32+,33+,34+,35+,36-,37+,38+,39+,40+,41?,42-,43-,44-,47+,48-/m0/s1 |
| InChIKey | WVUYXSSSMJZMFW-PYDJMCCFSA-L |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp(2−) (CHEBI:156541) is a carbohydrate acid derivative anion (CHEBI:63551) |
| β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp(2−) (CHEBI:156541) is conjugate base of (2S,4S,5R,6R)-5-Acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid (CHEBI:155240) |
| Incoming Relation(s) |
| (2S,4S,5R,6R)-5-Acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid (CHEBI:155240) is conjugate acid of β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-Glcp(2−) (CHEBI:156541) |
| Synonym | Source |
|---|---|
| β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc(2−) | SUBMITTER |