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CHEBI:232945 - 2,25-dideoxy-3-dehydroecdysone

ChEBI IDCHEBI:232945
ChEBI Name2,25-dideoxy-3-dehydroecdysone
Stars
DefinitionA 3-oxo steroid that is 3-dehydroecdysone in which the hydroxy groups at positions 2 and 25 are replaced by hydrogen.
SubmitterKristian Axelsen
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)[C@H](O)CCC(C)C)C1=CC2=O
InChIInChI=1S/C27H42O4/c1-16(2)6-7-23(29)17(3)19-10-13-27(31)21-15-24(30)22-14-18(28)8-11-25(22,4)20(21)9-12-26(19,27)5/h15-17,19-20,22-23,29,31H,6-14H2,1-5H3/t17-,19+,20-,22-,23+,25+,26+,27+/m0/s1
InChIKeyRTBWGLPHIFOHPA-OLZBKHGPSA-N
ChEBI Ontology
Outgoing Relation(s)
2,25-dideoxy-3-dehydroecdysone (CHEBI:232945) has parent hydride 5β-cholestane (CHEBI:35517)
2,25-dideoxy-3-dehydroecdysone (CHEBI:232945) is a 14α-hydroxy steroid (CHEBI:36861)
2,25-dideoxy-3-dehydroecdysone (CHEBI:232945) is a 22-hydroxy steroid (CHEBI:36863)
2,25-dideoxy-3-dehydroecdysone (CHEBI:232945) is a 3-oxo steroid (CHEBI:47788)
2,25-dideoxy-3-dehydroecdysone (CHEBI:232945) is a 6-oxo steroid (CHEBI:36883)
UniProt Name  Source
2,25-dideoxy-3-dehydroecdysoneUniProt
Manual XrefsDatabases
CPD-27462MetaCyc