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Chemistry, part 1

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... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > (2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > (2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > (2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > (2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
... > organooxygen compound > ester > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > (2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > (2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > (2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate sulfate > oligosaccharide sulfate > (2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > oligosaccharide derivative > oligosaccharide sulfate > (2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

Preferred term

(2s,3s,4r,5r,6r)-6-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2s,3s,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C36H57N3O37S3

inchi

  • InChI=1S/C36H57N3O37S3/c1-7(43)37-13-16(46)21(74-77(56,57)58)10(4-40)66-33(13)70-26-17(47)20(50)36(73-28(26)30(51)52)69-25-15(39-9(3)45)34(67-12(6-42)23(25)76-79(62,63)64)71-27-18(48)19(49)35(72-29(27)31(53)54)68-24-14(38-8(2)44)32(55)65-11(5-41)22(24)75-78(59,60)61/h10-29,32-36,40-42,46-50,55H,4-6H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)(H,51,52)(H,53,54)(H,56,57,58)(H,59,60,61)(H,62,63,64)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26+,27+,28+,29+,32?,33+,34+,35-,36-/m1/s1

inchikey

  • YRBBZSJSPYFAPP-FOGUSIPCSA-N

mass

  • 1220.020

monoisotopicmass

  • 1219.18330

smiles

  • S(O[C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](OS(O)(=O)=O)[C@H](O)[C@H]3NC(=O)C)CO)[C@H](O)[C@H]2O)C(O)=O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@@H](OS(O)(=O)=O)[C@H](OC(O)[C@@H]5NC(=O)C)CO)O[C@@H]4C(O)=O)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-D-galacto-hexopyranose
  • GalNAc4S(b1-4)GlcA(b1-3)GalNAc4S(b1-4)GlcA(b1-3)GalNAc4S
  • WURCS=2.0/3,5,4/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2122A-1b_1-5][a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O]/1-2-3-2-3/a3-b1_b4-c1_c3-d1_d4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:152639

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