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

Preferred term

n-[(3r,4r,5s,6r)-2-[(2r,3r,4r,5r)-5-acetamido-2-[[(3r,4r,5s,6r)-3-acetamido-5-[(3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-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(46)26(52)28(54)35(57-9)64-31-27(53)22(48)14(6-41)60-36(31)62-29-15(7-42)61-33(18(25(29)51)38-11(3)44)56-8-16-23(49)30(19(32(55)58-16)39-12(4)45)63-34-17(37-10(2)43)24(50)21(47)13(5-40)59-34/h9,13-36,40-42,46-55H,5-8H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)/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

  • ZYWZJQBIKUZFCV-XXAYLELYSA-N

mass

  • 935.880

monoisotopicmass

  • 935.35941

smiles

  • O([C@H]1[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]1CO)OC[C@H]2OC(O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@H]2O)C4O[C@@H]([C@H](O)[C@H](O)[C@H]4OC5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • Fuc(?1-2)Gal(?1-4)GlcNAc(?1-6)[GlcNAc(?1-3)]GalNAc
  • WURCS=2.0/4,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5]/1-2-2-3-4/a3-b1_a6-c1_c4-d1_d2-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155363

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