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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 > (2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1-acetyloxy-2,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-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 > (2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1-acetyloxy-2,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-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 > (2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1-acetyloxy-2,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

Preferred term

(2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1-acetyloxy-2,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C36H58N2O28

inchi

  • InChI=1S/C36H58N2O28/c1-10(43)37-19-13(46)5-36(34(57)58,66-30-21(49)16(7-40)61-32(25(30)53)62-27-18(9-42)60-31(54)24(52)23(27)51)64-28(19)22(50)17(8-41)63-35(33(55)56)4-14(47)20(38-11(2)44)29(65-35)26(15(48)6-39)59-12(3)45/h13-32,39-42,46-54H,4-9H2,1-3H3,(H,37,43)(H,38,44)(H,55,56)(H,57,58)/t13-,14-,15+,16+,17+,18+,19+,20+,21-,22+,23+,24+,25+,26+,27+,28+,29+,30-,31+,32-,35+,36-/m0/s1

inchikey

  • YPQALTOVWFCBEE-GWJRHIPXSA-N

mass

  • 966.846

monoisotopicmass

  • 966.31761

smiles

  • O1[C@H]([C@H](NC(=O)C)[C@@H](O)C[C@]1(O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)C(O)=O)[C@H](O)[C@H](O[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](OC(=O)C)[C@H](O)CO)C(O)=O)CO

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-7-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
  • NeuAc7Ac(a2-8)NeuAc(a2-3)Gal(b1-4)b-Glc
  • WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O_7*OCC/3=O]/1-2-3-4/a4-b1_b3-c2_c8-d2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155677

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