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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 3alpha,12alpha,15beta-trihydroxy-5beta,-chol-8(14)-en-24-oic acid

Preferred term

3alpha,12alpha,15beta-trihydroxy-5beta,-chol-8(14)-en-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H38O5

inchi

  • InChI=1S/C24H38O5/c1-13(4-7-21(28)29)17-11-19(26)22-16-6-5-14-10-15(25)8-9-23(14,2)18(16)12-20(27)24(17,22)3/h13-15,17-20,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,17-,18+,19-,20+,23+,24+/m1/s1

inchikey

  • RRRJFLXVNRAKLH-ZWUUCCFBSA-N

mass

  • 406.563

monoisotopicmass

  • 406.27192

smiles

  • O[C@@H]1[C@]2(C(=C3[C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[C@H](O)C[C@@]2([C@@H](CCC(O)=O)C)[H])C

subset

  • 2_STAR

synonym EXACT

  • (4R)-4-[(3R,5R,9R,10S,12S,13R,15R,17R)-3,12,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193543

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