CHEBI:19290 - 2,22,25-trideoxyecdysone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,22,25-trideoxyecdysone
ChEBI ID CHEBI:19290
Definition A 3β-hydroxy steroid that is 5β-cholestane containing a double bond between positions 7 and 8, and substituted by an oxo group at position 6 and by hydroxy groups at the 3β and 14α positions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H44O3
Net Charge 0
Average Mass 416.63646
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/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/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23+,25-,26-,27-/m1/s1
InChIKey FADCOUQPHXGWQS-ZCDXYYCTSA-N
SMILES [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
ChEBI Ontology
Outgoing 2,22,25-trideoxyecdysone (CHEBI:19290) has functional parent ecdysone (CHEBI:16688)
2,22,25-trideoxyecdysone (CHEBI:19290) has parent hydride 5β-cholestane (CHEBI:35517)
2,22,25-trideoxyecdysone (CHEBI:19290) is a 14α-hydroxy steroid (CHEBI:36861)
2,22,25-trideoxyecdysone (CHEBI:19290) is a 3β-hydroxy steroid (CHEBI:36836)
2,22,25-trideoxyecdysone (CHEBI:19290) is a 6-oxo steroid (CHEBI:36883)
2,22,25-trideoxyecdysone (CHEBI:19290) is a enone (CHEBI:51689)
IUPAC Name
3β,14-dihydroxy-5β-cholest-7-en-6-one
Synonyms Sources
2,22,25-Trideoxyecdysone KEGG COMPOUND
3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one ChemIDplus
3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one KEGG COMPOUND
Manual Xref Database
C16493 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
39219-57-3 CAS Registry Number ChemIDplus
5304720 Reaxys Registry Number Reaxys
Last Modified
28 July 2014