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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 3alpha-hydroxy-15-oxo-5beta-chol-8-en-24-oic acid

Preferred term

3alpha-hydroxy-15-oxo-5beta-chol-8-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(4-7-21(27)28)19-13-20(26)22-17-6-5-15-12-16(25)8-10-23(15,2)18(17)9-11-24(19,22)3/h14-16,19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,19-,22-,23+,24-/m1/s1

inchikey

  • GJBRYWUZMHQTMU-CQOUQDOHSA-N

mass

  • 388.548

monoisotopicmass

  • 388.26136

smiles

  • O=C1[C@@]2([C@@]([C@](C1)([C@@H](CCC(O)=O)C)[H])(CCC=3[C@@]4([C@](CCC23)(C[C@H](O)CC4)[H])C)C)[H]

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178720

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