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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C40H68N2O30

inchi

  • InChI=1S/C40H68N2O30/c1-9-19(49)25(55)28(58)37(63-9)72-34-26(56)20(50)12(4-43)66-40(34)71-33-22(52)13(5-44)65-39(30(33)60)70-32-15(7-46)68-38(29(59)27(32)57)69-31-14(6-45)67-36(18(24(31)54)42-11(3)48)62-8-16-21(51)23(53)17(35(61)64-16)41-10(2)47/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,12+,13+,14+,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+/m0/s1

inchikey

  • XCMJFHHXGZEGDN-OGOBDLRWSA-N

mass

  • 1056.968

monoisotopicmass

  • 1056.38569

smiles

  • O([C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)OC[C@H]3O[C@@H](O)[C@H](NC(=O)C)[C@@H](O)[C@H]3O)O[C@@H]1CO)[C@H]4O[C@@H]([C@H](O)[C@H](O[C@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)CO)[C@H]4O)CO

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-alpha-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranose
  • Fuc(a1-2)Gal(a1-3)Gal(a1-4)Gal(b1-4)GlcNAc(b1-6)b-GalNAc
  • WURCS=2.0/5,6,5/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-4-5/a6-b1_b4-c1_c4-d1_d3-e1_e2-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157560

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