CHEBI:79408 - 17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone
ChEBI ID CHEBI:79408
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H30O3
Net Charge 0
Average Mass 330.46110
Monoisotopic Mass 330.21949
InChI InChI=1S/C21H30O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h13,15-18H,2-12H2,1H3/t13-,15-,16+,17+,18-,20-,21+/m0/s1
InChIKey JSXFOYUNEYPEME-BRLQAUDHSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@H]34)[C@@H]1CC[C@@]21CCC(=O)O1
ChEBI Ontology
Outgoing 17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone (CHEBI:79408) is a steroid lactone (CHEBI:26766)
Manual Xref Database
C14881 KEGG COMPOUND
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