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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 7alpha-hydroxy-12-oxo-5alpha-cholan-24-oic acid

Preferred term

7alpha-hydroxy-12-oxo-5alpha-cholan-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H38O4

inchi

  • InChI=1S/C24H38O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1

inchikey

  • DXDVRSMVCCEPOO-RXISEPAGSA-N

mass

  • 390.564

monoisotopicmass

  • 390.27701

smiles

  • O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C(=O)C[C@@]2([C@@]4([C@@](C1)(CCCC4)[H])C)[H])C)[H])[H]

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:196611

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