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Concept information

Preferred term

3alpha,7alpha,12alpha-trihydroxy-5alpha-cholest-23-en-26-oic acid  

Type

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

charge

  • 0

formula

  • C27H46O5

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-AMPWAIRWSA-N

mass

  • 450.660

monoisotopicmass

  • 450.33452

smiles

  • C1[C@@H](O)C[C@]2([C@@](C1)(C)[C@]3(C[C@@H]([C@]4([C@]([C@]3([H])[C@@H](C2)O)(CC[C@]4([H])[C@@H](CCCC(C(=O)O)C)C)[H])C)O)[H])[H]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143991

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