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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 > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic 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 > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C31H52N2O24

inchi

  • InChI=1S/C31H52N2O24/c1-8(37)32-15-10(39)3-31(30(49)50,56-25(15)17(41)11(40)4-34)57-26-19(43)13(6-36)53-28(23(26)47)51-7-14-24(20(44)16(27(48)52-14)33-9(2)38)55-29-22(46)21(45)18(42)12(5-35)54-29/h10-29,34-36,39-48H,3-7H2,1-2H3,(H,32,37)(H,33,38)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21-,22+,23+,24+,25+,26-,27-,28+,29-,31-/m0/s1

inchikey

  • YBBUNXMMJXDHRJ-VTUUKCRDSA-N

mass

  • 836.747

monoisotopicmass

  • 836.29100

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranose
  • NeuAc(a2-3)Gal(b1-6)[Gal(b1-4)]a-GlcNAc
  • WURCS=2.0/3,4,3/[a2122h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-2-3/a4-b1_a6-c1_c3-d2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156643

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