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CHEBI:36725 - pregn-4-en-3-one

Default Structure
ChEBI IDCHEBI:36725
ChEBI Namepregn-4-en-3-one
Stars
Last Modified22 February 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC21H32O
Net Charge0
Average Mass300.486
Monoisotopic Mass300.24532
SMILES[H][C@]1(CC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h13-14,17-19H,4-12H2,1-3H3/t14-,17-,18-,19-,20+,21-/m0/s1
InChIKeyAYGFEWYXKDFVIQ-NWSAAYAGSA-N
ChEBI Ontology
Outgoing Relation(s)
pregn-4-en-3-one (CHEBI:36725) has parent hydride pregnane (CHEBI:8386)
pregn-4-en-3-one (CHEBI:36725) is a 3-oxo-Δ4 steroid (CHEBI:47909)
pregn-4-en-3-one (CHEBI:36725) is a C21-steroid (CHEBI:61313)
IUPAC Name 
pregn-4-en-3-one
Registry NumbersSources
Beilstein:2289452Beilstein