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CHEBI:183482 - Tetrahydroaldosterone

ChEBI IDCHEBI:183482
ChEBI NameTetrahydroaldosterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(=O)CO)[C@@]45C[C@]([H])(OC5O)[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H32O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h11-15,17-19,22-23,25H,2-10H2,1H3/t11-,12-,13+,14+,15-,17+,18-,19?,20+,21-/m1/s1
InChIKeyJDEYOKPHRJVBQO-FPXQBPFJSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
ChEBI Ontology
Outgoing Relation(s)
Tetrahydroaldosterone (CHEBI:183482) is a steroid lactone (CHEBI:26766)
IUPAC Name 
1-[(1R,2S,5S,6S,9R,11R,14S,15S,16S)-11,18-dihydroxy-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-2-yl]-2-hydroxyethanone
Manual XrefsDatabases
108935ChemSpider
Registry NumbersSources
CAS:13489-75-3ChemIDplus