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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,5s,6r)-2-[(2r,3r,4r,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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,5s,6r)-2-[(2r,3r,4r,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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,5s,6r)-2-[(2r,3r,4r,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Preferred term

n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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

  • C36H63N3O26

inchi

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

  • DGAJVICSBGEFJF-VMZGIUKPSA-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)O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@@H]2O)CO)[C@@H]3O[C@@H]([C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O)[C@H]3O)CO

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-2-4/a3-b1_b3-c1_c4-d1_d4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151032

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