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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 7alpha-hydroxy-3-oxocholest-4-en-27-oic acid

Preferred term

7alpha-hydroxy-3-oxocholest-4-en-27-oic 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/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20-,21?,22?,23?,24?,26+,27-/m1/s1

inchikey

  • SATGKQGFUDXGAX-TYCMATEWSA-N

mass

  • 430.629

monoisotopicmass

  • 430.30831

smiles

  • OC1C2C3[C@@]([C@](CC3)([C@@H](CCCC(C)C(O)=O)C)[H])(CCC2[C@@]4(C(C1)=CC(=O)CC4)C)C

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178592

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