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(2S,4S,5R,6R)- 5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
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| CHEBI:155038 |
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This entity has been manually annotated by a third party.
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Gareth Owen
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| ZINC000004097703 |
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Molfile
XML
SDF
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| InChI=1S/C71H118N4O53/c1-16-35(89)45(99)48(102)64(112-16)111-15-30-55(42(96)32(61(107)113-30)73-18(3)84)121-62-33(74-19(4)85)43(97)53(27(12-81)118-62)122-67-51(105)58(41(95)29(120-67)14-110-65-50(104)57(39(93)25(10-79)114-65)124-66-49(103)46(100)37(91)23(8-77)115-66)125-69-60(47(101)38(92)24(9-78)117-69)126-63-34(75-20(5)86)44(98)54(28(13-82)119-63)123-68-52(106)59(40(94)26(11-80)116-68)128-71(70(108)109)6-21(87)31(72-17(2)83)56(127-71)36(90)22(88)7-76/h16,21-69,76-82,87-107H,6-15H2,1-5H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,108,109)/t16-,21-,22+,23+,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-,63-,64+,65-,66+,67-,68-,69+,71-/m0/s1 |
| VWNOLQHEPHNSQH-RMPJCEBISA-N |
| O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)O)O[C@@H]([C@H]1O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)[C@@H]5O)CO)[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O[C@]%10(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%10)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)CO |
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Outgoing
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(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
(CHEBI:155038)
is a
neuraminic acids
(CHEBI:25508)
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5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->3)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose
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SUBMITTER
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NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Man(a1-3)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
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SUBMITTER
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WURCS=2.0/7,10,9/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-4-4-7/a4-b1_a6-j1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h3-i1
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SUBMITTER
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