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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pregn-4-en-3-one
ChEBI ID CHEBI:36725
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H32O
Net Charge 0
Average Mass 300.47818
Monoisotopic Mass 300.24532
InChI InChI=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
InChIKey AYGFEWYXKDFVIQ-NWSAAYAGSA-N
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
ChEBI Ontology
Outgoing 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 Number Type Source
2289452 Beilstein Registry Number Beilstein
Last Modified
22 February 2011