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CHEBI:173164 - 3beta-Hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al

ChEBI IDCHEBI:173164
ChEBI Name3beta-Hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@]12C=C([C@@H]3CCC([C@H](C)CCCC(C)C)[C@@]3(C)CC=O)C(=O)[C@@]3(C)CC[C@H](O)C[C@]13O2
InChIInChI=1S/C27H42O4/c1-17(2)7-6-8-18(3)21-9-10-22(25(21,4)13-14-28)20-15-23-27(31-23)16-19(29)11-12-26(27,5)24(20)30/h14-15,17-19,21-23,29H,6-13,16H2,1-5H3/t18-,19+,21?,22+,23+,25-,26-,27+/m1/s1
InChIKeyHWTUUAJZGNFIHU-NJZNNBEASA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
3beta-Hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al (CHEBI:173164) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(1R,2R)-2-[(1aS,4aS,7S,8aR)-7-hydroxy-4a-methyl-4-oxo-5,6,7,8-tetrahydro-1aH-naphtho[1,8a-b]oxiren-3-yl]-1-methyl-5-[(2R)-6-methylheptan-2-yl]cyclopentyl]acetaldehyde
Manual XrefsDatabases
24823260ChemSpider
LMST01010120LIPID MAPS