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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 3alpha-hydroxy-5beta-cholestan-26-oic acid

Preferred term

3alpha-hydroxy-5beta-cholestan-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H46O3

inchi

  • InChI=1S/C27H46O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17-24,28H,5-16H2,1-4H3,(H,29,30)/t17-,18?,19-,20-,21+,22-,23+,24+,26+,27-/m1/s1

inchikey

  • GMTQWYNNGJJVNK-ZNTRHNSMSA-N

mass

  • 418.662

monoisotopicmass

  • 418.34470

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187934

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