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(2R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
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CHEBI:152329 |
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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/C33H55N3O25/c1-9(41)34-18-24(50)21(47)13(5-38)57-30(18)60-28-22(48)14(6-39)58-31(25(28)51)59-26-19(35-10(2)42)29(52)56-15(23(26)49)8-55-33(32(53)54)3-11(43)17(36-16(45)7-40)27(61-33)20(46)12(44)4-37/h11-15,17-31,37-40,43-44,46-52H,3-8H2,1-2H3,(H,34,41)(H,35,42)(H,36,45)(H,53,54)/t11-,12+,13+,14+,15+,17+,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+,28-,29-,30-,31-,33+/m0/s1 |
QLQWGLYXNVPFQQ-CGJCVQCGSA-N |
O([C@H]1[C@@H](O)[C@H](O[C@H](O)[C@@H]1NC(=O)C)CO[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]3O[C@@H]([C@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]3O)CO |
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Outgoing
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(2R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
(CHEBI:152329)
is a
neuraminic acids
(CHEBI:25508)
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2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
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SUBMITTER
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GlcNAc(b1-3)Gal(b1-3)[NeuGc(a2-6)]a-GalNAc
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SUBMITTER
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WURCS=2.0/4,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2-3-4/a3-b1_a6-d2_b3-c1
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SUBMITTER
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