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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 > cholate
organic anion > carboxylic acid anion > steroid acid anion > bile acid anion > cholate

Preferred term

cholate  

Type

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

Broader concept

alt_id

  • CHEBI:11895
  • CHEBI:13978
  • CHEBI:20216
  • CHEBI:23168
  • CHEBI:57748

charge

  • -1

formula

  • C24H39O5

has_role

inchi

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

inchikey

  • BHQCQFFYRZLCQQ-OELDTZBJSA-M

is_conjugate_base_of

mass

  • 407.56346

monoisotopicmass

  • 407.28030

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@H](O)C2)[C@H](C)CCC([O-])=O

subset

  • 3_STAR

synonym EXACT

  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
  • cholate

synonym RELATED

  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29747

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