CHEBI:50106 - 5β-scymnol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5β-scymnol
ChEBI ID CHEBI:50106
ChEBI ASCII Name 5beta-scymnol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H48O6
Net Charge 0
Average Mass 468.66640
Monoisotopic Mass 468.34509
InChI InChI=1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
InChIKey DIPHJTHZUWDJIK-JPLAUYQNSA-N
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)CC[C@@H](O)C(CO)CO
ChEBI Ontology
Outgoing 5β-scymnol (CHEBI:50106) has parent hydride 5β-cholestane (CHEBI:35517)
5β-scymnol (CHEBI:50106) is a 12α-hydroxy steroid (CHEBI:36846)
5β-scymnol (CHEBI:50106) is a 24-hydroxy steroid (CHEBI:36865)
5β-scymnol (CHEBI:50106) is a 26-hydroxy steroid (CHEBI:36852)
5β-scymnol (CHEBI:50106) is a 27-hydroxy steroid (CHEBI:37914)
5β-scymnol (CHEBI:50106) is a 3α-hydroxy steroid (CHEBI:36835)
5β-scymnol (CHEBI:50106) is a 7α-hydroxy steroid (CHEBI:36843)
Incoming 5β-scymnol sulfate (CHEBI:50107) has functional parent 5β-scymnol (CHEBI:50106)
IUPAC Name
(24R)-5β-cholestane-3α,7α,12α,24,26,27-hexol
Synonyms Sources
5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol KEGG COMPOUND
5β-scymnol UniProt
5beta-Scymnol KEGG COMPOUND
Scymnol ChemIDplus
Manual Xref Database
C16260 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
5451487 Beilstein Registry Number Beilstein
6785-34-8 CAS Registry Number ChemIDplus
Last Modified
13 November 2017