CHEBI:79625 - 3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime
ChEBI ID CHEBI:79625
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000030728954
Download Molfile XML SDF
Formula C22H34N2O2
Net Charge 0
Average Mass 358.51760
Monoisotopic Mass 358.26203
InChI InChI=1S/C22H34N2O2/c1-14(13-23-25)18-6-7-19-17-5-4-15-12-16(24-26)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20,25-26H,4-11H2,1-3H3/b23-13+,24-16+/t14-,17-,18+,19-,20-,21-,22+/m0/s1
InChIKey LPFFRMGUWCHBIL-YMTOYBDESA-N
SMILES C[C@@H](\C=N\O)[C@H]1CC[C@H]2[C@@H]3CCC4=C\C(CC[C@]4(C)[C@H]3CC[C@]12C)=N\O
ChEBI Ontology
Outgoing 3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime (CHEBI:79625) is a aldoxime (CHEBI:22307)
3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime (CHEBI:79625) is a ketoxime (CHEBI:24983)
Manual Xref Database
C15106 KEGG COMPOUND
View more database links
Last Modified
13 March 2017