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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C46H80N2O35

inchi

  • InChI=1S/C46H80N2O35/c1-11-23(59)29(65)32(68)43(73-11)82-39-22(48-13(3)56)42(77-19(9-54)38(39)81-45-34(70)31(67)26(62)17(7-52)75-45)83-40-27(63)20(78-46(35(40)71)79-36(15(58)5-50)24(60)14(57)4-49)10-72-41-21(47-12(2)55)28(64)37(18(8-53)76-41)80-44-33(69)30(66)25(61)16(6-51)74-44/h11,14-46,49-54,57-71H,4-10H2,1-3H3,(H,47,55)(H,48,56)/t11-,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

  • FUDZXOULOOZWPO-QXNAYLIKSA-N

mass

  • 1221.125

monoisotopicmass

  • 1220.45416

smiles

  • O1[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)[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]4O)CO)[C@@H](O)[C@H]3NC(=O)C)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)[C@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H]1CO

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/4,7,6/[h2122h][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-3-2/a4-b1_b3-c1_b6-f1_c3-d1_c4-e1_f4-g1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150577

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