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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)-2-[(2r,3r,4r,5s)-5-acetamido-2,3,4,6-tetrahydroxyhexoxy]-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 > (2r,4s,5r,6r)-2-[(2r,3r,4r,5s)-5-acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2r,4s,5r,6r)-2-[(2r,3r,4r,5s)-5-acetamido-2,3,4,6-tetrahydroxyhexoxy]-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

  • C19H34N2O15

inchi

  • InChI=1S/C19H34N2O15/c1-7(25)20-8(3-22)14(30)15(31)11(28)6-35-19(18(33)34)2-9(26)13(21-12(29)5-24)17(36-19)16(32)10(27)4-23/h8-11,13-17,22-24,26-28,30-32H,2-6H2,1H3,(H,20,25)(H,21,29)(H,33,34)/t8-,9-,10+,11+,13+,14+,15-,16+,17+,19+/m0/s1

inchikey

  • OJVNLJDWYQPOFQ-DKKNBMFISA-N

mass

  • 530.480

monoisotopicmass

  • 530.19592

smiles

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

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/2,2,1/[h2112h_2*NCC/3=O][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2/a6-b2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155290

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