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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,3s,4s,5r,6s)-2-(acetyloxymethyl)-3,5-dihydroxy-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-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,3s,4s,5r,6s)-2-(acetyloxymethyl)-3,5-dihydroxy-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-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,3s,4s,5r,6s)-2-(acetyloxymethyl)-3,5-dihydroxy-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-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,3s,4s,5r,6s)-2-(acetyloxymethyl)-3,5-dihydroxy-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-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

  • C25H41NO20

inchi

  • InChI=1S/C25H41NO20/c1-7(29)26-13-9(31)3-25(24(39)40,45-20(13)14(33)10(32)4-27)46-21-15(34)12(6-41-8(2)30)43-23(18(21)37)44-19-11(5-28)42-22(38)17(36)16(19)35/h9-23,27-28,31-38H,3-6H2,1-2H3,(H,26,29)(H,39,40)/t9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1

inchikey

  • JWGNMDORWNBJPS-KOKJUCRYSA-N

mass

  • 675.590

monoisotopicmass

  • 675.22219

smiles

  • O([C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@@H]1O)COC(=O)C)O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O)[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[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)-6-O-acetyl-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
  • NeuAc(a2-3)Gal6Ac(b1-4)b-Glc
  • WURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5_6*OCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:148131

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