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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 > n-[(2r,3r,4r,5s,6r)-2-[[(2r,3r,4s,5r,6r)-6-[(2r,3r,4r,5r)-5-acetamido-2-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
... > 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 > n-[(2r,3r,4r,5s,6r)-2-[[(2r,3r,4s,5r,6r)-6-[(2r,3r,4r,5r)-5-acetamido-2-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
... > 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 > n-[(2r,3r,4r,5s,6r)-2-[[(2r,3r,4s,5r,6r)-6-[(2r,3r,4r,5r)-5-acetamido-2-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Preferred term

n-[(2r,3r,4r,5s,6r)-2-[[(2r,3r,4s,5r,6r)-6-[(2r,3r,4r,5r)-5-acetamido-2-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C36H61N3O25

inchi

  • InChI=1S/C36H61N3O25/c1-9-20(45)26(51)28(53)35(58-9)63-30-14(6-41)61-34(18(25(30)50)38-11(3)43)57-8-16-23(48)31(19(32(55)59-16)39-12(4)44)64-36-29(54)27(52)22(47)15(62-36)7-56-33-17(37-10(2)42)24(49)21(46)13(5-40)60-33/h9,13-36,40-41,45-55H,5-8H2,1-4H3,(H,37,42)(H,38,43)(H,39,44)/t9-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24+,25+,26+,27-,28-,29+,30+,31+,32?,33+,34+,35-,36-/m0/s1

inchikey

  • AXKBYJWDCMPVPW-RXHBQXOPSA-N

mass

  • 935.880

monoisotopicmass

  • 935.35941

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • GlcNAc(b1-6)Gal(b1-3)[Fuc(a1-4)GlcNAc(b1-6)]GalNAc
  • WURCS=2.0/4,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-3-4/a3-b1_a6-d1_b6-c1_d4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:148499

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