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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (23r)-3alpha,5beta,7alpha,23-tetrahydroxycholan-24-oic acid

Preferred term

(23r)-3alpha,5beta,7alpha,23-tetrahydroxycholan-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H40O6

inchi

  • InChI=1S/C24H40O6/c1-13(10-18(26)21(28)29)15-4-5-16-20-17(7-8-22(15,16)2)23(3)9-6-14(25)11-24(23,30)12-19(20)27/h13-20,25-27,30H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16+,17+,18-,19-,20+,22-,23-,24-/m1/s1

inchikey

  • HWMAQRANSTVMQX-BVOOHUNKSA-N

mass

  • 424.578

monoisotopicmass

  • 424.28249

smiles

  • O[C@@]12[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](C[C@@H](O)C(O)=O)C)[H])(CC3)C)[H])([C@H](O)C1)[H])[H])(CC[C@@H](O)C2)C

subset

  • 2_STAR

synonym EXACT

  • (2R,4R)-2-hydroxy-4-[(3R,5R,7R,8S,9S,10R,13R,14S,17R)-3,5,7-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:184945

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