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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)-6-[(1r,2r)-3-acetyloxy-1,2-dihydroxypropyl]-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]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)-6-[(1r,2r)-3-acetyloxy-1,2-dihydroxypropyl]-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]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)-6-[(1r,2r)-3-acetyloxy-1,2-dihydroxypropyl]-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid

Preferred term

(2s,4s,5r,6r)-6-[(1r,2r)-3-acetyloxy-1,2-dihydroxypropyl]-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C25H41NO21

inchi

  • InChI=1S/C25H41NO21/c1-7(30)42-6-9(32)14(34)20-13(26-12(33)5-29)8(31)2-25(46-20,24(40)41)47-21-15(35)10(3-27)44-23(18(21)38)45-19-11(4-28)43-22(39)17(37)16(19)36/h8-11,13-23,27-29,31-32,34-39H,2-6H2,1H3,(H,26,33)(H,40,41)/t8-,9+,10+,11+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1

inchikey

  • TXTGDIOILHFLJY-ZUCULDGOSA-N

mass

  • 691.589

monoisotopicmass

  • 691.21711

smiles

  • O([C@]1(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C1)[C@H](O)[C@H](O)COC(=O)C)C(O)=O)[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O

subset

  • 2_STAR

synonym RELATED

  • 9-O-acetyl-3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
  • NeuGc9Ac(a2-3)Gal(b1-4)b-Glc
  • WURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O_9*OCC/3=O]/1-2-3/a4-b1_b3-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:152251

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