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

Preferred term

(4s,5r,6r)-2-[(3r,4s,5s,6r)-2-[(3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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(32)26-14-19(16(37)10(4-29)43-22(14)40)45-23-18(39)21(17(38)11(5-30)44-23)47-25(24(41)42)2-8(33)13(27-12(35)6-31)20(46-25)15(36)9(34)3-28/h8-11,13-23,28-31,33-34,36-40H,2-6H2,1H3,(H,26,32)(H,27,35)(H,41,42)/t8-,9+,10+,11+,13+,14+,15+,16-,17-,18+,19+,20+,21-,22?,23?,25?/m0/s1

inchikey

  • VVWUJNOQUDAWCD-BQUSNECFSA-N

mass

  • 690.605

monoisotopicmass

  • 690.23309

smiles

  • O([C@@H]1[C@@H](O)C(O[C@@H]2[C@@H](NC(=O)C)C(O[C@@H]([C@@H]2O)CO)O)O[C@@H]([C@@H]1O)CO)C3(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O

subset

  • 2_STAR

synonym RELATED

  • 3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->3)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • NeuGc(?2-3)Gal(?1-3)GalNAc
  • WURCS=2.0/3,3,2/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCCO/3=O]/1-2-3/a3-b1_b3-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151480

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