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CHEBI:80541 - 14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione

ChEBI IDCHEBI:80541
ChEBI Name14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Stars
Last Modified17 October 2024
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H]C1C(=O)CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]4(O)C3=CC(=O)[C@]12[H]
InChIInChI=1S/C27H42O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-18,20-21,23,30H,6-15H2,1-5H3/t18-,20-,21+,23+,25-,26-,27-/m1/s1
InChIKeyAJPPBYXIXOLGAV-QHKDMNIJSA-N
ChEBI Ontology
Outgoing Relation(s)
14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione (CHEBI:80541) is a cholestanoid (CHEBI:50401)
Synonym  Source
DiketolKEGG COMPOUND
UniProt Name  Source
3-dehydro-2,22,25-deoxyecdysoneUniProt
Manual XrefsDatabases
C16509KEGG COMPOUND