CHEBI:28082 - 5α-cholestane-3β,5,6β-triol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5α-cholestane-3β,5,6β-triol
ChEBI ID CHEBI:28082
ChEBI ASCII Name 5alpha-cholestane-3beta,5,6beta-triol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20241, CHEBI:1717
Supplier Information
Download Molfile XML SDF
Formula C27H48O3
Net Charge 0
Average Mass 420.66822
Monoisotopic Mass 420.36035
InChI InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey YMMFNKXZULYSOQ-RUXQDQFYSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
ChEBI Ontology
Outgoing 5α-cholestane-3β,5,6β-triol (CHEBI:28082) has parent hydride 5α-cholestane (CHEBI:35515)
5α-cholestane-3β,5,6β-triol (CHEBI:28082) is a 3β-hydroxy steroid (CHEBI:36836)
5α-cholestane-3β,5,6β-triol (CHEBI:28082) is a 5α-hydroxy steroid (CHEBI:38194)
5α-cholestane-3β,5,6β-triol (CHEBI:28082) is a 6β-hydroxy steroid (CHEBI:36851)
IUPAC Name
5α-cholestane-3β,5,6β-triol
Synonyms Sources
3beta,5alpha,6beta-Cholestanetriol KEGG COMPOUND
3β,5α,6β-Trihydroxycholestane ChemIDplus
5α-cholestane-3β,5,6β-triol UniProt
Cholestane-3-beta,5-alpha,6-beta-triol ChemIDplus
Cholestane-3beta-5alpha,6beta-triol KEGG COMPOUND
Manual Xrefs Databases
C05425 KEGG COMPOUND
LMST01010052 LIPID MAPS
View more database links
Registry Numbers Types Sources
1253-84-5 CAS Registry Number KEGG COMPOUND
1253-84-5 CAS Registry Number ChemIDplus
2221527 Beilstein Registry Number Beilstein
Last Modified
19 August 2015