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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 3beta-hydroxy-7-oxo-5alpha-cholan-24-oic acid

Preferred term

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

inchikey

  • DXOCDBGWDZAYRQ-KRYSTCSFSA-N

mass

  • 390.557

monoisotopicmass

  • 390.27701

smiles

  • C1C[C@@H](C[C@@]2(CC([C@@]3([C@](CC[C@]4([C@]3(CC[C@@]4([C@@](CCC(=O)O)(C)[H])[H])[H])C)([C@@]12C)[H])[H])=O)[H])O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137760

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