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CHEBI:192164 - 7-Dehydrocholesterol 5,6-oxide

ChEBI IDCHEBI:192164
ChEBI Name7-Dehydrocholesterol 5,6-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@@]12C=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H](O)C[C@]31O2
InChIInChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h15,17-19,21-24,28H,6-14,16H2,1-5H3/t18-,19+,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKeyHQJPDAPYXZGRSF-RMXJHBPESA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
7-Dehydrocholesterol 5,6-oxide (CHEBI:192164) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(1S,2R,5S,7S,9R,12R,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-10-en-5-ol
Manual XrefsDatabases
111932ChemSpider
LMST03020672LIPID MAPS
Registry NumbersSources
CAS:95841-71-7ChemIDplus