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CHEBI:145645 - α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-[α-Neu5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp
| Formula | C70H113N5O53 |
| Net Charge | 0 |
| Average Mass | 1872.656 |
| Monoisotopic Mass | 1871.63007 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)O4)O3)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O |
| WURCS | WURCS=2.0/4,8,7/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-3-3-4-2-3/a4-b1_b3-c2_b4-f1_c8-d2_d8-e2_f3-g1_g3-h2 |
| InChI | InChI=1S/C70H113N5O53/c1-18(84)71-35-23(89)6-67(63(106)107,123-53(35)40(95)27(93)10-76)121-31(14-80)44(99)55-37(73-20(3)86)24(90)7-68(125-55,64(108)109)122-32(15-81)45(100)56-38(74-21(4)87)26(92)9-70(126-56,66(112)113)128-58-49(104)62(118-50-33(16-82)114-59(105)47(102)46(50)101)117-34(17-83)51(58)119-60-39(75-22(5)88)52(42(97)29(12-78)115-60)120-61-48(103)57(43(98)30(13-79)116-61)127-69(65(110)111)8-25(91)36(72-19(2)85)54(124-69)41(96)28(94)11-77/h23-62,76-83,89-105H,6-17H2,1-5H3,(H,71,84)(H,72,85)(H,73,86)(H,74,87)(H,75,88)(H,106,107)(H,108,109)(H,110,111)(H,112,113)/t23-,24-,25-,26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51-,52+,53+,54+,55+,56+,57-,58+,59+,60-,61-,62-,67+,68+,69-,70-/m0/s1 |
| InChIKey | VJQBJQYSVMPEOJ-UUEDUGPRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-[α-Neu5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:145645) is a amino octasaccharide (CHEBI:71060) |
| α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-[α-Neu5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→4)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:145645) is a neuraminic acids (CHEBI:25508) |
| IUPAC Name |
|---|
| 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→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(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-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | IUPAC |
| NeuAc(a2-8)NeuAc(a2-8)NeuAc(a2-3)[NeuAc(a2-3)Gal(b1-3)GalNAc(b1-4)]Gal(b1-4)b-Glc | IUPAC |