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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 1alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid

Preferred term

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

inchikey

  • CXKBELIUTOXJMR-ZVTQFMQASA-N

mass

  • 390.564

monoisotopicmass

  • 390.27701

smiles

  • O[C@@H]1[C@@]2([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(CC[C@@]2(CC(=O)C1)[H])[H])[H])C

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:173163

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