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CHEBI:50586 - 9ξ-episterol

ChEBI IDCHEBI:50586
ChEBI Name9ξ-episterol
Stars
ASCII Name9xi-episterol
Last Modified27 January 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC=C3C(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=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
InChIKeyBTCAEOLDEYPGGE-LPWCLQGBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
9ξ-episterol (CHEBI:50586) has role mouse metabolite (CHEBI:75771)
9ξ-episterol (CHEBI:50586) is a 3β-sterol (CHEBI:35348)
Incoming Relation(s)
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
EpisterolKEGG COMPOUND
Manual XrefsDatabases
C15777KEGG COMPOUND
C00007272KNApSAcK
Registry NumbersSources
Beilstein:4540494Beilstein
CAS:474-68-0KEGG COMPOUND