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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy-5beta-cholanic acid > bile acid > 7,12-dioxolithocholic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy-5beta-cholanic acid > bile acid > 7,12-dioxolithocholic acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > hydroxy-5beta-cholanic acid > bile acid > 7,12-dioxolithocholic acid
5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > 7,12-dioxolithocholic acid
5beta-cholanic acids > oxo-5beta-cholanic acid > 7,12-dioxolithocholic acid

Preferred term

7,12-dioxolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H36O5

has_functional_parent

has_role

inchi

  • InChI=1S/C24H36O5/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/h13-18,22,25H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,22+,23+,24-/m1/s1

inchikey

  • MAFJMPFLJJCSTB-FQBQTYDJSA-N

is_conjugate_acid_of

mass

  • 404.541

monoisotopicmass

  • 404.25627

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 3alpha-hydroxy-7,12-dioxo-5beta-cholan-24-oic acid

synonym RELATED

  • (3alpha,5beta)-3-hydroxy-7,12-dioxocholan-24-oic acid
  • 3alpha-Hydroxy-7,12-diketo-5beta-cholanoic acid
  • 3-Hydroxy-7,12-diketocholanoic acid
  • 7,12-diketolithocholic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:138389

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