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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 3beta-hydroxy-12-oxo-5beta-chol-9(11)-en-24-oic acid

Preferred term

3beta-hydroxy-12-oxo-5beta-chol-9(11)-en-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H36O4

inchi

  • InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h13-19,25H,4-12H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,23+,24-/m1/s1

inchikey

  • RMEZJKHOZLUOHB-IVJGTTAGSA-N

mass

  • 388.548

monoisotopicmass

  • 388.26136

smiles

  • O=C1[C@]2([C@]([C@]3(C([C@@]4([C@](CC3)(C[C@@H](O)CC4)[H])C)=C1)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178707

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