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

Preferred term

(2s,4s,5r,6r)-5-acetamido-2-[(2s,3r,4s,5s,6r)-2-[(2r,3r,4r,5s)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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

  • C25H44N2O19

inchi

  • InChI=1S/C25H44N2O19/c1-8(32)26-10(4-28)16(37)20(13(36)6-30)44-23-19(40)22(18(39)14(7-31)43-23)46-25(24(41)42)3-11(34)15(27-9(2)33)21(45-25)17(38)12(35)5-29/h10-23,28-31,34-40H,3-7H2,1-2H3,(H,26,32)(H,27,33)(H,41,42)/t10-,11-,12+,13+,14+,15+,16+,17+,18-,19+,20-,21+,22-,23-,25-/m0/s1

inchikey

  • VPJZKIDMBOKBBZ-NMSKXQBQSA-N

mass

  • 676.622

monoisotopicmass

  • 676.25383

smiles

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

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:154578

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