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

  • C31H52N2O24

inchi

  • InChI=1S/C31H52N2O24/c1-8(36)32-15-10(38)3-31(30(49)50,57-26(15)17(40)11(39)4-34)52-7-14-18(41)20(43)16(33-9(2)37)28(54-14)51-6-13-19(42)21(44)24(47)29(55-13)56-25-12(5-35)53-27(48)23(46)22(25)45/h10-29,34-35,38-48H,3-7H2,1-2H3,(H,32,36)(H,33,37)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25+,26+,27+,28+,29-,31+/m0/s1

inchikey

  • DBHDWEAQXTWBCI-XKVCZLHTSA-N

mass

  • 836.747

monoisotopicmass

  • 836.29100

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
  • NeuAc(a2-6)GlcNAc(b1-6)Gal(b1-4)b-Glc
  • WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a4-b1_b6-c1_c6-d2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156826

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