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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > (2s,3s,4r,5r,6r)-3-[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2r,3r,4r,5s,6s)-5-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > (2s,3s,4r,5r,6r)-3-[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2r,3r,4r,5s,6s)-5-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > (2s,3s,4r,5r,6r)-3-[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2r,3r,4r,5s,6s)-5-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C36H57N3O28

inchi

  • InChI=1S/C36H57N3O28/c1-7(43)37-13-18(48)24(11(5-41)59-32(13)58)62-35-22(52)21(51)27(29(66-35)31(56)57)65-34-15(39-9(3)45)19(49)25(12(6-42)61-34)63-36-23(53)20(50)26(28(67-36)30(54)55)64-33-14(38-8(2)44)17(47)16(46)10(4-40)60-33/h10-29,32-36,40-42,46-53,58H,4-6H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)(H,54,55)(H,56,57)/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

  • LIVPDIBHXARCFI-DQMOVXEDSA-N

mass

  • 979.845

monoisotopicmass

  • 979.31286

smiles

  • O1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2C(O)=O)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO)O)[C@H](NC(=O)C)[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]5NC(=O)C)CO)[C@H](O)[C@H]4O)C(O)=O)[C@H]1CO

subset

  • 2_STAR

synonym RELATED

  • 2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose
  • GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAc
  • WURCS=2.0/3,5,4/[a2122h-1x_1-5_2*NCC/3=O][a2122A-1b_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-2-3/a4-b1_b4-c1_c4-d1_d4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150356

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