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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C46H78N2O34

inchi

  • InChI=1S/C46H78N2O34/c1-10-21(54)27(60)31(64)42(72-10)71-9-18-37(38(20(40(69)74-18)48-13(4)53)81-44-32(65)28(61)22(55)11(2)73-44)80-41-19(47-12(3)52)26(59)36(16(7-51)77-41)79-46-34(67)30(63)24(57)17(78-46)8-70-43-35(68)39(25(58)15(6-50)75-43)82-45-33(66)29(62)23(56)14(5-49)76-45/h10-11,14-46,49-51,54-69H,5-9H2,1-4H3,(H,47,52)(H,48,53)/t10-,11-,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+,41-,42+,43-,44-,45+,46-/m0/s1

inchikey

  • KJEOECKPOJVQKA-OHSZZDGYSA-N

mass

  • 1203.110

monoisotopicmass

  • 1202.44360

smiles

  • O([C@H]1[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)O)[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO)[C@@H]6O)CO)[C@H](O)[C@H]4NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • alpha-D-manno-hexopyranosyl-(1->3)-alpha-D-manno-hexopyranosyl-(1->6)-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)][6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
  • Man(a1-3)Man(a1-6)Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)][Fuc(a1-6)]b-GlcNAc
  • WURCS=2.0/4,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-1-3-4-4-2/a3-b1_a4-c1_a6-g1_c4-d1_d6-e1_e3-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157178

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