skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

(25s)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-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-TVOMGIAASA-N

mass

  • 450.65114

monoisotopicmass

  • 450.33452

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:48044

Download this concept: