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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > neuraminic acids > (4s,5r,6r)-2-[[(2r,3r,4s,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > ketoaldonic acid derivative > neuraminic acids > (4s,5r,6r)-2-[[(2r,3r,4s,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-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,4s,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-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(17(37)10(4-29)44-22(14)40)46-23-19(39)18(38)16(36)11(45-23)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

  • XWQFZUQFJHAGFR-GDHSNTHOSA-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]3[C@@H](NC(=O)C)C(O[C@@H]([C@@H]3O)CO)O)[C@H](O)[C@@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H](O)CO

subset

  • 2_STAR

synonym RELATED

  • 3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • NeuGc(?2-6)Gal(b1-3)GalNAc
  • WURCS=2.0/3,3,2/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2x_2-6_5*NCCO/3=O]/1-2-3/a3-b1_b6-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147648

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