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(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6S)-6-carboxy-3,5-dihydroxy-4-sulfooxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3R,4R,5R,6S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
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CHEBI:157083 |
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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/C34H55NO32S/c1-7(38)35-13-8(39)2-34(33(53)54,66-23(13)14(41)9(40)3-36)59-6-12-17(44)25(20(47)30(62-12)61-11-5-58-29(52)18(45)15(11)42)63-31-21(48)24(16(43)10(4-37)60-31)64-32-22(49)26(67-68(55,56)57)19(46)27(65-32)28(50)51/h8-27,29-32,36-37,39-49,52H,2-6H2,1H3,(H,35,38)(H,50,51)(H,53,54)(H,55,56,57)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17-,18+,19-,20+,21+,22+,23+,24-,25-,26-,27-,29-,30+,31-,32+,34+/m0/s1 |
KIEIMAHOODTABB-YMZNFCPCSA-N |
S(O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@H](O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC4)O)[C@@H]3O)CO[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)O[C@@H]([C@@H]2O)CO)O[C@@H]([C@H]1O)C(O)=O)(O)(=O)=O |
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Outgoing
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(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6S)-6-carboxy-3,5-dihydroxy-4-sulfooxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3R,4R,5R,6S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
(CHEBI:157083)
is a
carbohydrates and carbohydrate derivatives
(CHEBI:78616)
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3-O-sulfo-beta-D-gluco-hexopyranosyluronic acid-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->4)-alpha-D-xylo-pentopyranose
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SUBMITTER
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GlcA3S(b1-3)Gal(b1-3)[NeuAc(a2-6)]Gal(b1-4)a-Xyl
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SUBMITTER
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WURCS=2.0/4,5,4/[a212h-1a_1-5][a2112h-1b_1-5][a2122A-1b_1-5_3*OSO/3=O/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-2-3-4/a4-b1_b3-c1_b6-e2_c3-d1
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SUBMITTER
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