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(2S,4S,5R,6R)- 2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
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| CHEBI:148350 |
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This entity has been manually annotated by a third party.
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Gareth Owen
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Molfile
XML
SDF
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| InChI=1S/C71H118N4O55/c1-16(87)72-32-42(100)52(122-67-49(107)59(40(98)25(10-81)116-67)128-65-46(104)43(101)36(94)21(6-77)114-65)28(13-84)118-62(32)126-57-38(96)23(8-79)115-66(47(57)105)121-51-27(12-83)119-63(33(41(51)99)73-17(2)88)127-58-39(97)24(9-80)117-68(48(58)106)125-55-34(74-18(3)89)64(113-22(7-78)37(55)95)124-54-29(14-85)120-69(123-53-26(11-82)112-61(109)45(103)44(53)102)50(108)60(54)130-71(70(110)111)4-19(90)31(75-30(92)15-86)56(129-71)35(93)20(91)5-76/h19-29,31-69,76-86,90-91,93-109H,4-15H2,1-3H3,(H,72,87)(H,73,88)(H,74,89)(H,75,92)(H,110,111)/t19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,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 |
| HARGOBSJUJOKRC-LJTACJTASA-N |
| O([C@@H]1[C@H](O[C@]2(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)[C@@H]4O[C@@H]([C@H](O)[C@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@@H]6O[C@@H]([C@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O[C@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)[C@H]5O)CO)[C@H]4NC(=O)C)CO |
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Outgoing
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(2S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
(CHEBI:148350)
is a
neuraminic acids
(CHEBI:25508)
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alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
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SUBMITTER
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Gal(a1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GalNAc(b1-3)Gal(b1-3)GalNAc(b1-4)[NeuGc(a2-3)]Gal(b1-4)b-Glc
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SUBMITTER
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WURCS=2.0/6,10,9/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5]/1-2-3-4-2-4-2-5-2-6/a4-b1_b3-c2_b4-d1_d3-e1_e3-f1_f4-g1_g3-h1_h4-i1_i3-j1
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SUBMITTER
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