CHEBI:79609 - 17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone
ChEBI ID CHEBI:79609
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H28O3
Net Charge 0
Average Mass 340.45590
Monoisotopic Mass 340.20384
InChI InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h5,9,13,16-18H,3-4,6-8,10-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
InChIKey XFDFDWJXWMKQGW-WNHSNXHDSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
ChEBI Ontology
Outgoing 17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone (CHEBI:79609) is a steroid lactone (CHEBI:26766)
Manual Xref Database
C15090 KEGG COMPOUND
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