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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6r)-6-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3r,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6r)-6-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3r,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6r)-6-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3r,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-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,4s,5r,6r)-6-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3r,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-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

  • C37H62N2O29

inchi

  • InChI=1S/C37H62N2O29/c1-9(43)38-17-11(45)3-37(36(58)59,68-31(17)19(47)12(46)4-40)61-8-16-21(49)23(51)27(55)34(65-16)60-7-15-20(48)22(50)18(39-10(2)44)33(64-15)66-30-14(6-42)63-35(28(56)25(30)53)67-29-13(5-41)62-32(57)26(54)24(29)52/h11-35,40-42,45-57H,3-8H2,1-2H3,(H,38,43)(H,39,44)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34+,35-,37+/m0/s1

inchikey

  • LFPCCRCOZGBFKS-CVJOWRNZSA-N

mass

  • 998.888

monoisotopicmass

  • 998.34382

smiles

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

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
  • NeuAc(a2-6)Gal(b1-6)GalNAc(b1-4)Gal(b1-4)b-Glc
  • WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a4-b1_b4-c1_c6-d1_d6-e2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:153192

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