CHEBI:143991 - 3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholest-23-en-26-oic acid

ChEBI IDCHEBI:143991
ChEBI Name3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholest-23-en-26-oic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC27H46O5
Net Charge0
Average Mass450.660
Monoisotopic Mass450.33452
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@H](C)CCCC(C)C(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=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
InChIKeyCNWPIIOQKZNXBB-AMPWAIRWSA-N
ChEBI Ontology
Outgoing Relation(s)
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholest-23-en-26-oic acid (CHEBI:143991) is a 12α-hydroxy steroid (CHEBI:36846)
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholest-23-en-26-oic acid (CHEBI:143991) is a 3α-hydroxy steroid (CHEBI:36835)
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholest-23-en-26-oic acid (CHEBI:143991) is a 7α-hydroxy steroid (CHEBI:36843)