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

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ChEBI Name 2,22-dideoxy-3-dehydroecdysone
ChEBI ID CHEBI:80533
Definition A 3-oxo steroid that is 3-dehydroecdysone in which the hydroxy groups at positions 2 and 22 are replaced by hydrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H42O4
Net Charge 0
Average Mass 430.629
Monoisotopic Mass 430.30831
InChI InChI=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
InChIKey ADJIOBLYKGQIDH-NOVLVJNXSA-N
SMILES [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O
Metabolite of Species Details
Manduca sexta (NCBI:txid7130) See: PubMed
Roles Classification
Biological Role(s): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
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ChEBI Ontology
Outgoing 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 Sources
14α,25-dihydroxy-5β-cholesta-7-ene-3,6-dione ChEBI
3-dehydro-2,22-dideoxyecdysone ChEBI
3-dehydro-2,22-dideoxyecdysone UniProt
Manual Xref Database
C16498 KEGG COMPOUND
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Citations Waiting for Citations Types Sources
16503480 PubMed citation Europe PMC
17628274 PubMed citation Europe PMC
18680437 PubMed citation Europe PMC
38803375 PubMed citation Europe PMC
8973547 PubMed citation Europe PMC
Last Modified
07 October 2024