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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > steroid acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > steroid acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > steroid acid anion > bile acid anion > 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate

Preferred term

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

Type

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

Broader concept

alt_id

  • CHEBI:11900
  • CHEBI:20211
  • CHEBI:58663
  • CHEBI:59453

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-KRHHAYMPSA-M

is_conjugate_base_of

mass

  • 407.56350

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:15755

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