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CHEBI:80533 - 2,22-dideoxy-3-dehydroecdysone

ChEBI IDCHEBI:80533
ChEBI Name2,22-dideoxy-3-dehydroecdysone
Stars
DefinitionA 3-oxo steroid that is 3-dehydroecdysone in which the hydroxy groups at positions 2 and 22 are replaced by hydrogen.
Last Modified16 December 2024
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12CC(=O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@](O)(CC[C@]3([H])[C@H](C)CCCC(C)(C)O)C1=CC2=O
InChIInChI=1S/C27H42O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-17,19-20,22,30-31H,6-15H2,1-5H3/t17-,19-,20+,22+,25-,26-,27-/m1/s1
InChIKeyADJIOBLYKGQIDH-NOVLVJNXSA-N
Species of MetaboliteComponentSourceComments
Manduca sexta (ncbitaxon:7130) - PubMed (16503480)
Roles Classification
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
2,22-dideoxy-3-dehydroecdysone (CHEBI:80533) has parent hydride 5β-cholestane (CHEBI:35517)
2,22-dideoxy-3-dehydroecdysone (CHEBI:80533) has role animal metabolite (CHEBI:75767)
2,22-dideoxy-3-dehydroecdysone (CHEBI:80533) is a 14α-hydroxy steroid (CHEBI:36861)
2,22-dideoxy-3-dehydroecdysone (CHEBI:80533) is a 25-hydroxy steroid (CHEBI:36864)
2,22-dideoxy-3-dehydroecdysone (CHEBI:80533) is a 3-oxo steroid (CHEBI:47788)
2,22-dideoxy-3-dehydroecdysone (CHEBI:80533) is a 6-oxo steroid (CHEBI:36883)
IUPAC Name 
14,25-dihydroxy-5β-cholest-7-ene-3,6-dione
Synonyms  Source
14α,25-dihydroxy-5β-cholesta-7-ene-3,6-dioneChEBI
3-dehydro-2,22-dideoxyecdysoneChEBI
UniProt Name  Source
3-dehydro-2,22-dideoxyecdysoneUniProt
Manual XrefsDatabases
C16498KEGG COMPOUND
Citations