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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,4r,5r,6r)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-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,4r,5r,6r)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-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,4r,5r,6r)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2s,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6r)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-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

  • C19H32N2O14

inchi

  • InChI=1S/C19H32N2O14/c1-6(23)20-11-8(25)3-19(18(31)32,35-16(11)13(27)9(26)4-22)33-5-10-14(28)15(29)12(17(30)34-10)21-7(2)24/h8-17,22,25-30H,3-5H2,1-2H3,(H,20,23)(H,21,24)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17+,19-/m0/s1

inchikey

  • CZOGCRVBCLRHQJ-IFFCIQPOSA-N

mass

  • 512.465

monoisotopicmass

  • 512.18535

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranose
  • NeuAc(b2-6)b-GalNAc
  • WURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2b_2-6_5*NCC/3=O]/1-2/a6-b2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156793

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