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Chemistry, part 2

Content language

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Concept information

organic anion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > deoxycholate
organic anion > carboxylic acid anion > steroid acid anion > bile acid anion > deoxycholate

Preferred term

deoxycholate  

Type

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

Broader concept

charge

  • -1

formula

  • C24H39O4

has_role

inchi

  • InChI=1S/C24H40O4/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/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

inchikey

  • KXGVEGMKQFWNSR-LLQZFEROSA-M

is_conjugate_base_of

mass

  • 391.56406

monoisotopicmass

  • 391.28538

smiles

  • [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2

subset

  • 3_STAR

synonym EXACT

  • 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
  • deoxycholate

synonym RELATED

  • 3alpha,12alpha-dihydroxy-5beta-cholanate
  • Desoxycholat

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:23614

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