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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 3alpha,12alpha-dihydroxy-5beta-chol-6-en-24-oic acid

Preferred term

3alpha,12alpha-dihydroxy-5beta-chol-6-en-24-oic acid  

Type

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

charge

  • 0

formula

  • C24H38O4

has_functional_parent

has_role

inchi

  • InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,14-21,25-26H,4,7-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

inchikey

  • LNOFKAWCANXKAC-LLQZFEROSA-N

mass

  • 390.55610

monoisotopicmass

  • 390.27701

smiles

  • [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])C=C2)[C@H](C)CCC(O)=O

subset

  • 3_STAR

synonym EXACT

  • (3alpha,5beta,12alpha)-3,12-dihydroxychol-6-en-24-oic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73926

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