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CHEBI:88728 - Tetrahydroaldosterone-3-glucuronide

ChEBI IDCHEBI:88728
ChEBI NameTetrahydroaldosterone-3-glucuronide
Stars
DownloadsMolfile
FormulaC27H40O11
Net Charge0
Average Mass540.606
Monoisotopic Mass540.25706
SMILES[H][C@@]12CC3(C(O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)C12
InChIInChI=1S/C27H40O11/c1-26-7-6-12(36-24-21(32)19(30)20(31)22(38-24)23(33)34)8-11(26)2-3-13-14-4-5-15(16(29)10-28)27(14)9-17(18(13)26)37-25(27)35/h11-15,17-22,24-25,28,30-32,35H,2-10H2,1H3,(H,33,34)/t11?,12?,13?,14?,15-,17+,18?,19-,20+,21-,22+,24-,25?,26+,27?/m1/s1
InChIKeyCGIURIOFMWUPSV-RUQPETGGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22624806)
ChEBI Ontology
Outgoing Relation(s)
Tetrahydroaldosterone-3-glucuronide (CHEBI:88728) is a steroid glucosiduronic acid (CHEBI:26763)
Synonyms  Source
(3alpha,5beta,11beta)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl-beta-delta-Glucopyranosiduronic acidHMDB
11beta,18-Epoxy-18,21-dihydroxy-20-oxo-5beta-pregnan-3alpha-yl beta-D-glucopyranosiduronic acidHMDB
Tetrahydroaldosterone-3-glucuronosideHMDB
11beta,18-Epoxy-18,21-dihydroxy-20-oxo-5beta-pregnan-3alpha-yl beta-delta-glucopyranosiduronic acidHMDB
Tetrahydroaldosterone 3 beta-glucosiduronic acidHMDB
(3alpha,5beta,11beta)-11,18-epoxy-18,21-dihydro-20-oxopregnan-3-yl-beta-D-Glucopyranosiduronic acidHMDB
Manual XrefsDatabases
Beta-D-GlucuronidesMetaCyc
HMDB0010357HMDB
Registry NumbersSources
CAS:20605-81-6KEGG COMPOUND
Citations