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CHEBI:232767 - 22-deoxyecdysone

ChEBI IDCHEBI:232767
ChEBI Name22-deoxyecdysone
Stars
DefinitionA 3β-hydroxy steroid that is ecdysone in which the hydroxy group at position 22 is replaced by a hydrogen.
Submitternhn
DownloadsMolfile
FormulaC27H44O5
Net Charge0
Average Mass448.644
Monoisotopic Mass448.31887
SMILES[H][C@@]12C[C@@H](O)[C@@H](O)C[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/C27H44O5/c1-16(7-6-10-24(2,3)31)17-9-12-27(32)19-13-21(28)20-14-22(29)23(30)15-25(20,4)18(19)8-11-26(17,27)5/h13,16-18,20,22-23,29-32H,6-12,14-15H2,1-5H3/t16-,17-,18+,20+,22-,23+,25-,26-,27-/m1/s1
InChIKeyKMHXXYXMOIOEMU-BXVOCSMGSA-N
ChEBI Ontology
Outgoing Relation(s)
22-deoxyecdysone (CHEBI:232767) has functional parent ecdysone (CHEBI:16688)
22-deoxyecdysone (CHEBI:232767) is a 3β-hydroxy steroid (CHEBI:36836)
UniProt Name  Source
22-deoxyecdysoneUniProt