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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid

Preferred term

3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid  

Type

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

alt_id

  • CHEBI:11897
  • CHEBI:11898
  • CHEBI:1698
  • CHEBI:20219
  • CHEBI:20220

charge

  • 0

formula

  • C27H46O5

has_parent_hydride

inchi

  • InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

inchikey

  • CNWPIIOQKZNXBB-VCVMUKOKSA-N

mass

  • 450.65110

monoisotopicmass

  • 450.33452

smiles

  • C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

subset

  • 3_STAR

synonym EXACT

  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:18402

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