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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-[(2s,3r,4r,5s,6r)-5-hydroxy-2-/{[(1r,2s,3r,5r,6s)-2-hydroxy-5-(hydroxymethyl)-6-/{[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy/}-3-/{[(2r,3r,4r,5r)-1,2,5-trihydroxy-6-oxo-4-/{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy/}hexan-3-yl]oxy/}cyclohexyl]oxy/}-6-(hydroxymethyl)-4-/{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}oxan-3-yl]ethanimidic acid
... > 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-[(2s,3r,4r,5s,6r)-5-hydroxy-2-/{[(1r,2s,3r,5r,6s)-2-hydroxy-5-(hydroxymethyl)-6-/{[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy/}-3-/{[(2r,3r,4r,5r)-1,2,5-trihydroxy-6-oxo-4-/{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy/}hexan-3-yl]oxy/}cyclohexyl]oxy/}-6-(hydroxymethyl)-4-/{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}oxan-3-yl]ethanimidic acid
... > 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-[(2s,3r,4r,5s,6r)-5-hydroxy-2-/{[(1r,2s,3r,5r,6s)-2-hydroxy-5-(hydroxymethyl)-6-/{[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy/}-3-/{[(2r,3r,4r,5r)-1,2,5-trihydroxy-6-oxo-4-/{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy/}hexan-3-yl]oxy/}cyclohexyl]oxy/}-6-(hydroxymethyl)-4-/{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}oxan-3-yl]ethanimidic acid

Preferred term

n-[(2s,3r,4r,5s,6r)-5-hydroxy-2-/{[(1r,2s,3r,5r,6s)-2-hydroxy-5-(hydroxymethyl)-6-/{[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy/}-3-/{[(2r,3r,4r,5r)-1,2,5-trihydroxy-6-oxo-4-/{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy/}hexan-3-yl]oxy/}cyclohexyl]oxy/}-6-(hydroxymethyl)-4-/{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}oxan-3-yl]ethanimidic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C39H67NO28

inchi

  • InChI=1S/C39H67NO28/c1-10-20(49)25(54)28(57)37(60-10)65-31-13(5-41)4-16(62-32(14(47)6-42)33(15(48)7-43)66-38-29(58)26(55)21(50)11(2)61-38)23(52)35(31)68-36-19(40-12(3)46)34(24(53)18(9-45)63-36)67-39-30(59)27(56)22(51)17(8-44)64-39/h7,10-11,13-39,41-42,44-45,47-59H,4-6,8-9H2,1-3H3,(H,40,46)/t10-,11-,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-/m0/s1

inchikey

  • RNJJNIREQYKQIV-QDGYNRPDSA-N

mass

  • 997.944

monoisotopicmass

  • 997.38496

smiles

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

subset

  • 2_STAR

synonym EXACT

  • N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-[(1R,2S,3R,5R,6S)-2-hydroxy-5-(hydroxymethyl)-6-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:184363

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