CHEBI:88773 - Cortolone-3-glucuronide

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ChEBI Name Cortolone-3-glucuronide
ChEBI ID CHEBI:88773
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H42O11
Net Charge 0
Average Mass 542.617
Monoisotopic Mass 542.27271
InChI InChI=1S/C27H42O11/c1-25-9-13(37-24-21(33)19(31)20(32)22(38-24)23(34)35)5-3-12(25)4-6-14-15-7-8-27(36,17(30)11-28)26(15,2)10-16(29)18(14)25/h12-15,17-22,24,28,30-33,36H,3-11H2,1-2H3,(H,34,35)/t12?,13?,14?,15?,17?,18?,19-,20-,21+,22-,24+,25?,26?,27?/m0/s1
InChIKey OKNSFVSKHQJVRN-XAYCFROHSA-N
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2CC3(C4C(C5C(CC4=O)(C(CC5)(C(CO)O)O)C)CCC3CC2)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Cortolone-3-glucuronide (CHEBI:88773) is a steroid saponin (CHEBI:61655)
Synonyms Sources
(2S,3S,4S,5R,6R)-6-{[14-(1,2-dihydroxyethyl)-14-hydroxy-2,15-dimethyl-17-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid HMDB
20alpha-Cortolone-3-glucuronide HMDB
20beta-Cortolone-3-glucuronide HMDB
Manual Xrefs Databases
Beta-D-Glucuronides MetaCyc
HMDB0010320 HMDB
View more database links
Registry Number Type Source
56162-46-0 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
22624806 PubMed citation Europe PMC
6549383 PubMed citation Europe PMC