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

Preferred term

n-[(3r,4r,5s,6r)-2-[(2r,3r,4s,5r)-6-[(3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-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)24(54)28(58)38(63-9)72-34-30(60)32(15(7-46)67-40(34)71-33-18(42-11(3)48)35(61)64-13(5-44)22(33)52)69-36-17(41-10(2)47)23(53)31(14(6-45)66-36)70-39-29(59)26(56)21(51)16(68-39)8-62-37-27(57)25(55)20(50)12(4-43)65-37/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

  • DWVCCEZUNIDXIQ-AWJKZCKQSA-N

mass

  • 1056.968

monoisotopicmass

  • 1056.38569

smiles

  • O([C@@H]1[C@H](O)[C@@H](OC2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)C(O[C@@H]1CO)O[C@@H]3[C@@H](NC(=O)C)C(O[C@@H]([C@@H]3O)CO)O)C4O[C@@H]([C@@H](OC5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)COC6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)[C@H](O)[C@H]4NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • D-manno-hexopyranosyl-(1->6)-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-L-galacto-hexopyranosyl-(1->2)]-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • Man(?1-6)Glc(?1-4)GlcNAc(?1-4)[Fuc(?1-2)]Gal(?1-3)GalNAc
  • WURCS=2.0/6,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5][a2122h-1x_1-5_2*NCC/3=O][a2122h-1x_1-5][a1122h-1x_1-5]/1-2-3-4-5-6/a3-b1_b2-c1_b4-d1_d4-e1_e6-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:153228

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