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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 3beta-hydroxychola-5,16-dien-24-oic acid

Preferred term

3beta-hydroxychola-5,16-dien-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H36O3

inchi

  • InChI=1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,7,15,17-18,20-21,25H,4,6,8-14H2,1-3H3,(H,26,27)/t15-,17+,18+,20+,21+,23+,24-/m1/s1

inchikey

  • DEQAPBOSYFPJKQ-IMRKFHMDSA-N

mass

  • 372.549

monoisotopicmass

  • 372.26645

smiles

  • O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=CC4)[C@@H](CCC(O)=O)C)C)[H])(CC2)[H])[H])(CC1)C

subset

  • 2_STAR

synonym EXACT

  • (4R)-4-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176410

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