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

Preferred term

(2s,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2r,3s,4r,5r,6s)-4-[(2s,4s,5r,6r)-2-carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-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

  • C48H79N3O39

inchi

  • InChI=1S/C48H79N3O39/c1-12(60)49-25-36(86-43-32(73)39(29(70)18(7-55)82-43)89-47(45(76)77)2-13(61)23(50-21(65)10-58)37(87-47)26(67)15(63)4-52)28(69)17(6-54)81-42(25)85-35-20(9-57)83-44(84-34-19(8-56)80-41(75)31(72)30(34)71)33(74)40(35)90-48(46(78)79)3-14(62)24(51-22(66)11-59)38(88-48)27(68)16(64)5-53/h13-20,23-44,52-59,61-64,67-75H,2-11H2,1H3,(H,49,60)(H,50,65)(H,51,66)(H,76,77)(H,78,79)/t13-,14-,15+,16+,17+,18+,19+,20+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37+,38+,39-,40+,41+,42-,43-,44-,47-,48-/m0/s1

inchikey

  • QCIMCXXAYQTQRU-YLJKFFPQSA-N

mass

  • 1322.142

monoisotopicmass

  • 1321.42907

smiles

  • O([C@@H]1[C@H](O[C@]2(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)[C@@H]4O[C@@H]([C@H](O)[C@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@]6(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]5O)CO)[C@H]4NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • 3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-[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
  • NeuGc(a2-3)Gal(b1-3)GalNAc(b1-4)[NeuGc(a2-3)]Gal(b1-4)b-Glc
  • WURCS=2.0/4,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-3/a4-b1_b3-c2_b4-d1_d3-e1_e3-f2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:153493

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