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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > celecoxib glucuronide
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > celecoxib glucuronide

Preferred term

celecoxib glucuronide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C23H20F3N3O10S

inchi

  • InChI=1S/C23H20F3N3O10S/c24-23(25,26)15-9-14(29(28-15)12-5-7-13(8-6-12)40(27,36)37)10-1-3-11(4-2-10)21(35)39-22-18(32)16(30)17(31)19(38-22)20(33)34/h1-9,16-19,22,30-32H,(H,33,34)(H2,27,36,37)/t16-,17-,18+,19-,22-/m0/s1

inchikey

  • ZSTBSABHKHAHNU-QUXXCFOZSA-N

mass

  • 587.480

monoisotopicmass

  • 587.08215

smiles

  • S(=O)(=O)(N)C1=CC=C(N2N=C(C=C2C3=CC=C(C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=O)C=C3)C(F)(F)F)C=C1

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-(4-sulamoylphenyl)-5-(triluoromethyl)pyrazol-3-yl]benzoyl]oxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229841

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