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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > neuraminic acids > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > ketoaldonic acid derivative > neuraminic acids > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-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)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-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

  • C22H37NO18

inchi

  • InChI=1S/C22H37NO18/c1-6(26)23-11-7(27)2-22(21(35)36,40-17(11)12(29)8(28)3-24)41-18-14(31)9(4-25)38-20(16(18)33)39-10-5-37-19(34)15(32)13(10)30/h7-20,24-25,27-34H,2-5H2,1H3,(H,23,26)(H,35,36)/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18-,19+,20-,22-/m0/s1

inchikey

  • ZXMIGQZTCOOWSP-CWBOKIKNSA-N

mass

  • 603.527

monoisotopicmass

  • 603.20106

smiles

  • O1[C@](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](OC3)O)(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->4)-beta-D-xylo-pentopyranose
  • NeuAc(a2-3)Gal(b1-4)b-Xyl
  • WURCS=2.0/3,3,2/[a212h-1b_1-5][a2112h-1b_1-5][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:151942

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