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Chemistry, part 2

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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 > lipid > steroid > cholanoid > 1b,3a,12a-trihydroxy-5b-cholanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 1b,3a,12a-trihydroxy-5b-cholanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 1b,3a,12a-trihydroxy-5b-cholanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 1b,3a,12a-trihydroxy-5b-cholanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > 1b,3a,12a-trihydroxy-5b-cholanoic acid

Preferred term

1b,3a,12a-trihydroxy-5b-cholanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H40O5

inchi

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

inchikey

  • DAKYVYUAVGJDRK-LFMRMFNLSA-N

mass

  • 408.572

monoisotopicmass

  • 408.28757

smiles

  • C[C@H](CCC(O)=O)C1CCC2C3CCC4C[C@@H](C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@]12C)O

subset

  • 2_STAR

synonym RELATED

  • 1,3,12-Trihydroxy-(5b)-Cholan-24-oate
  • 1,3,12-Trihydroxy-(5b)-Cholan-24-oic acid
  • 1b,3a,12a-Trihydroxy-5b-cholan-24-oate
  • 1b,3a,12a-Trihydroxy-5b-cholan-24-oic acid
  • 1b,3a,12a-Trihydroxy-5b-cholanoate
  • (4R)-4-[(2S,3R,5S,15R,16S)-3,5,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:89219

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