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Chemistry, part 1

Content language

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Concept information

5beta-cholanic acids > oxo-5beta-cholanic acid > 3,7,12-trioxo-5beta-cholanic acid

Preferred term

3,7,12-trioxo-5beta-cholanic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H34O5

has_role

inchi

  • InChI=1S/C24H34O5/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/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1

inchikey

  • OHXPGWPVLFPUSM-KLRNGDHRSA-N

is_conjugate_acid_of

mass

  • 402.52376

monoisotopicmass

  • 402.24062

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 3,7,12-trioxo-5beta-cholan-24-oic acid
  • 3,7,12-trioxo-5beta-cholanic acid

synonym RELATED

  • 3,7,12-Triketo-5beta-cholanoic acid
  • 3,7,12-triketocholanic acid
  • 3,7,12-trioxocholanic acid
  • Decholin
  • Dehydrocholic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31459

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