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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 > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-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 > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-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

  • C39H65N3O28

inchi

  • InChI=1S/C39H65N3O28/c1-10-22(51)28(57)29(58)36(63-10)69-33-32(68-35-20(41-12(3)47)27(56)24(53)16(7-44)65-35)25(54)17(8-45)66-37(33)67-30-21(42-13(4)48)34(59)64-18(26(30)55)9-62-39(38(60)61)5-14(49)19(40-11(2)46)31(70-39)23(52)15(50)6-43/h10,14-37,43-45,49-59H,5-9H2,1-4H3,(H,40,46)(H,41,47)(H,42,48)(H,60,61)/t10-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28+,29-,30+,31+,32-,33+,34?,35-,36-,37-,39+/m0/s1

inchikey

  • QLIUTQSIIJCHEK-HRJOVJODSA-N

mass

  • 1023.942

monoisotopicmass

  • 1023.37546

smiles

  • O([C@@H]1O[C@@H]([C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H]1O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO)[C@H]4[C@@H](O)[C@H](OC(O)[C@@H]4NC(=O)C)CO[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • Fuc(a1-2)[GlcNAc(b1-3)]Gal(b1-3)[NeuAc(a2-6)]GalNAc
  • WURCS=2.0/5,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5/a3-b1_a6-e2_b2-c1_b3-d1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:148243

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