CHEBI:50586 - 9ξ-episterol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9ξ-episterol
ChEBI ID CHEBI:50586
ChEBI ASCII Name 9xi-episterol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C28H46O
Net Charge 0
Average Mass 398.66420
Monoisotopic Mass 398.35487
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,26?,27+,28-/m1/s1
InChIKey BTCAEOLDEYPGGE-LPWCLQGBSA-N
SMILES [H][C@@]12CC=C3C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](O)C2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9ξ-episterol (CHEBI:50586) has role mouse metabolite (CHEBI:75771)
9ξ-episterol (CHEBI:50586) is a 3β-sterol (CHEBI:35348)
Incoming episterol ester (CHEBI:52393) has functional parent 9ξ-episterol (CHEBI:50586)
episterol (CHEBI:23929) is a 9ξ-episterol (CHEBI:50586)
IUPAC Name
5α,9ξ-ergosta-7,24(28)-dien-3β-ol
Synonym Source
Episterol KEGG COMPOUND
Manual Xrefs Databases
C00007272 KNApSAcK
C15777 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
4540494 Beilstein Registry Number Beilstein
474-68-0 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016