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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 > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > 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 > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > steroid acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > steroid acid anion > bile acid anion > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
... > 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 > cholanic acid anion > 12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)

Preferred term

12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C24H35O4

inchi

  • InChI=1S/C24H36O4/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/h12,14,17-21,26H,4-11,13H2,1-3H3,(H,27,28)/p-1/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1

inchikey

  • BGHDKUPKUZDVRW-QUPGBHKMSA-M

mass

  • 387.541

monoisotopicmass

  • 387.25408

smiles

  • C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CCC2=CC(C1)=O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)O)[H])C

subset

  • 2_STAR

synonym RELATED

  • 12alpha-hydroxy-3-oxochola-4-en-24-oate
  • 3-oxo-4,5-dehydro-DCA(1-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193152

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