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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)-2-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-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
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > ketoaldonic acid derivative > neuraminic acids > (2s,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-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

(2s,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-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

  • C25H44N2O20

inchi

  • InChI=1S/C25H44N2O20/c1-8(33)26-9(3-28)20(16(38)11(35)4-29)45-23-19(41)22(18(40)13(6-31)44-23)47-25(24(42)43)2-10(34)15(27-14(37)7-32)21(46-25)17(39)12(36)5-30/h9-13,15-23,28-32,34-36,38-41H,2-7H2,1H3,(H,26,33)(H,27,37)(H,42,43)/t9-,10-,11+,12+,13+,15+,16-,17+,18-,19+,20+,21+,22-,23-,25-/m0/s1

inchikey

  • XNZOORRFUSKJBP-HSBRHUOTSA-N

mass

  • 692.621

monoisotopicmass

  • 692.24874

smiles

  • O1[C@](O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@@H]2O)CO)(C[C@H](O)[C@@H](NC(=O)CO)[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*NCCO/3=O]/1-2-3/a3-b1_b3-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:154639

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