CHEBI:79653 - 3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate
ChEBI ID CHEBI:79653
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H28O4
Net Charge 0
Average Mass 344.44460
Monoisotopic Mass 344.19876
InChI InChI=1S/C21H28O4/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,12,15-18H,4-11H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKey OJRZFJGEWPAMMR-JPRZGNOKSA-N
SMILES CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
ChEBI Ontology
Outgoing 3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate (CHEBI:79653) is a steroid aldehyde (CHEBI:131565)
3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate (CHEBI:79653) is a steroid ester (CHEBI:47880)
Manual Xref Database
C15135 KEGG COMPOUND
View more database links
Last Modified
17 March 2016