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

  • C57H95N3O43

inchi

  • InChI=1S/C57H95N3O43/c1-13-28(71)34(77)39(82)52(91-13)102-48-42(85)44(22(10-65)96-55(48)101-46-27(60-16(4)68)49(86)92-23(32(46)75)12-90-57(56(87)88)5-17(69)25(58-14(2)66)47(103-57)29(72)18(70)6-61)98-50-26(59-15(3)67)33(76)43(21(9-64)95-50)99-54-41(84)37(80)45(100-53-40(83)36(79)31(74)20(8-63)94-53)24(97-54)11-89-51-38(81)35(78)30(73)19(7-62)93-51/h13,17-55,61-65,69-86H,5-12H2,1-4H3,(H,58,66)(H,59,67)(H,60,68)(H,87,88)/t13-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39-,40-,41+,42-,43+,44-,45+,46+,47+,48+,49-,50-,51-,52-,53+,54+,55?,57+/m0/s1

inchikey

  • QUPKVSQQDRJWKY-XDASDHKMSA-N

mass

  • 1510.365

monoisotopicmass

  • 1509.53393

smiles

  • O([C@@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)C(O[C@@H]1CO)O[C@H]3[C@@H](O)[C@H](O[C@H](O)[C@@H]3NC(=O)C)CO[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]5O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H](O[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO)[C@H](O)[C@H]6O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)[C@H](O)[C@H]5NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • alpha-D-manno-hexopyranosyl-(1->4)-[alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)]-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-alpha-D-galacto-hexopyranose
  • Man(a1-4)[Man(a1-6)]Glc(a1-4)GlcNAc(b1-4)[Fuc(a1-2)]Gal(?1-3)[NeuAc(a2-6)]a-GalNAc
  • WURCS=2.0/7,8,7/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5][a1122h-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5-6-6-7/a3-b1_a6-h2_b2-c1_b4-d1_d4-e1_e4-f1_e6-g1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151647

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