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CHEBI:88773 - Cortolone-3-glucuronide

ChEBI IDCHEBI:88773
ChEBI NameCortolone-3-glucuronide
Stars
DownloadsMolfile
FormulaC27H42O11
Net Charge0
Average Mass542.622
Monoisotopic Mass542.27271
SMILESCC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO
InChIInChI=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
InChIKeyOKNSFVSKHQJVRN-XAYCFROHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22624806)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cortolone-3-glucuronide (CHEBI:88773) is a steroid saponin (CHEBI:61655)
Synonyms  Source
20alpha-Cortolone-3-glucuronideHMDB
(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 acidHMDB
20beta-Cortolone-3-glucuronideHMDB
Manual XrefsDatabases
HMDB0010320HMDB
Beta-D-GlucuronidesMetaCyc
Registry NumbersSources
CAS:56162-46-0KEGG COMPOUND
Citations