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Chemistry, part 3

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

Preferred term

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

  • C40H68N2O30

inchi

  • InChI=1S/C40H68N2O30/c1-9-19(50)25(56)28(59)38(62-9)72-34-33(71-36-17(41-10(2)48)23(54)20(51)12(4-43)64-36)22(53)14(6-45)66-40(34)69-30-16(8-47)67-37(18(24(30)55)42-11(3)49)70-32-21(52)13(5-44)65-39(29(32)60)68-31-15(7-46)63-35(61)27(58)26(31)57/h9,12-40,43-47,50-61H,4-8H2,1-3H3,(H,41,48)(H,42,49)/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+/m1/s1

inchikey

  • NGRVABFTTBQXSB-YBSVMANNSA-N

mass

  • 1056.968

monoisotopicmass

  • 1056.38569

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-alpha-D-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
  • D-Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)Glc
  • WURCS=2.0/5,6,5/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-2-4-5/a4-b1_b3-c1_c4-d1_d2-e1_d3-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157326

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