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CHEBI:186622 - 22,23-epoxy-5beta-campestan-3beta-ol

ChEBI IDCHEBI:186622
ChEBI Name22,23-epoxy-5beta-campestan-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O2
Net Charge0
Average Mass416.690
Monoisotopic Mass416.36543
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)C3OC3[C@@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C28H48O2/c1-16(2)17(3)25-26(30-25)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29H,7-15H2,1-6H3/t17-,18-,19+,20-,21-,22+,23-,24-,25?,26?,27-,28+/m0/s1
InChIKeyNTJZUWWTNLXHQE-YFLCQPOASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
22,23-epoxy-5beta-campestan-3beta-ol (CHEBI:186622) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
(3S,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[3-[(2S)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
113385203ChemSpider
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