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[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate |
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CHEBI:157571 |
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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/C42H73N3O37S2/c1-11(51)43-14(4-46)33(23(55)15(54)5-47)78-41-31(63)36(25(57)17(7-49)74-41)81-39-22(45-13(3)53)28(60)35(20(77-39)10-72-84(68,69)70)80-42-32(64)37(26(58)18(8-50)75-42)82-38-21(44-12(2)52)27(59)34(19(76-38)9-71-83(65,66)67)79-40-30(62)29(61)24(56)16(6-48)73-40/h14-42,46-50,54-64H,4-10H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)(H,65,66,67)(H,68,69,70)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-/m0/s1 |
PXIZDYLEBGWXEK-YIYQTJMYSA-N |
S(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@@H]2O)CO)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)COS(O)(=O)=O)[C@H]3O)CO)(O)(=O)=O |
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Outgoing
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[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
(CHEBI:157571)
is a
carbohydrates and carbohydrate derivatives
(CHEBI:78616)
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WURCS=2.0/3,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-2-3-2/a3-b1_b3-c1_c4-d1_d3-e1_e4-f1
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SUBMITTER
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