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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 > amino monosaccharide > hexosamine > n-acyl-hexosamine > n-[(2r,3r,4r,5s,6r)-2-[[(2r,3r,4s,5r,6r)-6-[(2s,3r,4s,5r)-2-acetamido-6-[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-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 > amino monosaccharide > hexosamine > n-acyl-hexosamine > n-[(2r,3r,4r,5s,6r)-2-[[(2r,3r,4s,5r,6r)-6-[(2s,3r,4s,5r)-2-acetamido-6-[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-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 > amino monosaccharide > hexosamine > n-acyl-hexosamine > n-[(2r,3r,4r,5s,6r)-2-[[(2r,3r,4s,5r,6r)-6-[(2s,3r,4s,5r)-2-acetamido-6-[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Preferred term

n-[(2r,3r,4r,5s,6r)-2-[[(2r,3r,4s,5r,6r)-6-[(2s,3r,4s,5r)-2-acetamido-6-[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C36H63N3O26

inchi

  • InChI=1S/C36H63N3O26/c1-10(44)37-13(4-40)31(64-36-30(57)28(55)24(51)18(63-36)9-59-33-19(38-11(2)45)25(52)22(49)15(5-41)60-33)21(48)14(47)8-58-34-20(39-12(3)46)26(53)32(17(7-43)62-34)65-35-29(56)27(54)23(50)16(6-42)61-35/h13-36,40-43,47-57H,4-9H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)/t13-,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

  • MANRVQVCMYSPQB-PUSZRQSUSA-N

mass

  • 953.895

monoisotopicmass

  • 953.36998

smiles

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

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/3,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3-2/a3-b1_a6-d1_b6-c1_d4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151770

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