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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 > (2r,4s,5r,6r)-5-acetamido-2-[(2r,3s,4r,5s)-5-acetamido-2,3,6-trihydroxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-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 > (2r,4s,5r,6r)-5-acetamido-2-[(2r,3s,4r,5s)-5-acetamido-2,3,6-trihydroxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexoxy]-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,5s)-5-acetamido-2,3,6-trihydroxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexoxy]-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

  • C25H44N2O22S

inchi

  • InChI=1S/C25H44N2O22S/c1-8(30)26-10(4-28)21(48-23-20(39)19(38)18(37)14(47-23)7-46-50(42,43)44)17(36)13(34)6-45-25(24(40)41)3-11(32)15(27-9(2)31)22(49-25)16(35)12(33)5-29/h10-23,28-29,32-39H,3-7H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)(H,42,43,44)/t10-,11-,12+,13+,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,25+/m0/s1

inchikey

  • VVYIGLJEGADNPA-PJRPEFJWSA-N

mass

  • 756.680

monoisotopicmass

  • 756.21064

smiles

  • S(OC[C@H]1O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@]2(O[C@H]([C@H](NC(=O)C)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](NC(=O)C)CO)[C@H](O)[C@@H](O)[C@H]1O)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a3-b1_a6-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:148684

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