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

Preferred term

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

  • C25H42N2O20

inchi

  • InChI=1S/C25H42N2O20/c1-7(31)26-14-20(46-23-19(39)18(38)16(36)10(4-29)45-23)17(37)11(44-22(14)40)6-43-25(24(41)42)2-8(32)13(27-12(34)5-30)21(47-25)15(35)9(33)3-28/h8-11,13-23,28-30,32-33,35-40H,2-6H2,1H3,(H,26,31)(H,27,34)(H,41,42)/t8-,9+,10+,11+,13+,14+,15+,16-,17-,18-,19+,20+,21+,22-,23?,25?/m0/s1

inchikey

  • QQMCUTCFAKFSMM-ZRWOAVMXSA-N

mass

  • 690.605

monoisotopicmass

  • 690.23309

smiles

  • O1[C@H]([C@H](NC(=O)CO)[C@@H](O)CC1(OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H]2O)C(O)=O)[C@H](O)[C@H](O)CO

subset

  • 2_STAR

synonym RELATED

  • D-galacto-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
  • Gal(?1-3)[NeuGc(?2-6)]a-GalNAc
  • WURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCCO/3=O]/1-2-3/a3-b1_a6-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157593

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