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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 > (4s,5r,6r)-5-acetamido-2-[(2r,3s,4s,5r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r)-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
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > ketoaldonic acid derivative > neuraminic acids > (4s,5r,6r)-5-acetamido-2-[(2r,3s,4s,5r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r)-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

(4s,5r,6r)-5-acetamido-2-[(2r,3s,4s,5r)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r)-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

  • C23H39NO19

inchi

  • InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20?,21?,23?/m0/s1

inchikey

  • CILYIEBUXJIHCO-OXGNVUNFSA-N

mass

  • 633.553

monoisotopicmass

  • 633.21163

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->3)-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
  • NeuAc(?2-3)Gal(?1-4)Glc
  • WURCS=2.0/3,3,2/[a2122h-1x_1-5][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:148590

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