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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (25r)-3beta-hydroxy-7-oxo-5-cholestenoic acid

Preferred term

(25r)-3beta-hydroxy-7-oxo-5-cholestenoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O4

inchi

  • InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-22,24,28H,5-14H2,1-4H3,(H,30,31)/t16-,17-,19+,20-,21+,22+,24?,26+,27-/m1/s1

inchikey

  • QOEPZHFZXUROGV-VEQZWHMNSA-N

mass

  • 430.629

monoisotopicmass

  • 430.30831

smiles

  • O=C1C2[C@]3([C@@]([C@](CC3)([C@@H](CCC[C@@H](C)C(O)=O)C)[H])(CC[C@@]2([C@@]4(C(=C1)C[C@@H](O)CC4)C)[H])C)[H]

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178590

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