CHEBI:34173 - 16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
ChEBI ID CHEBI:34173
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H24O4
Net Charge 0
Average Mass 340.414
Monoisotopic Mass 340.167
InChI InChI=1S/C21H24O4/c1-20-6-5-12(22)7-11(20)3-4-13-14-8-17-15(9-18(24)25-17)21(14,2)10-16(23)19(13)20/h7,9,13-14,17,19H,3-6,8,10H2,1-2H3/t13-,14-,17-,19+,20-,21-/m0/s1
InChIKey RBULKOMEEZXUGR-BIOQOPCMSA-N
SMILES C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H]1OC(=O)C=C21
ChEBI Ontology
Outgoing 16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone (CHEBI:34173) is a 11-oxo steroid (CHEBI:47787)
Synonym Source
16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone KEGG COMPOUND
Manual Xref Database
C14637 KEGG COMPOUND
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Registry Number Type Source
337-68-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014