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Concept information

Preferred term

1beta-hydroxydeoxycholate  

Type

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

Broader concept

charge

  • -1

formula

  • C24H39O5

inchi

  • InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1

inchikey

  • DAKYVYUAVGJDRK-FPUZENINSA-M

mass

  • 407.564

monoisotopicmass

  • 407.28030

smiles

  • [C@@H]1([C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)O)[H])C)O

subset

  • 3_STAR

synonym EXACT

  • 1beta,3alpha,12alpha-trihydroxy-5beta-cholan-24-oate
  • 1beta-hydroxydeoxycholate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:134124

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