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CHEBI:3898 - Cortol

ChEBI IDCHEBI:3898
ChEBI NameCortol
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC21H36O5
Net Charge0
Average Mass368.514
Monoisotopic Mass368.25627
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@](O)([C@@H](O)CO)[C@@]4(C)C[C@H](O)[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChIKeyFFPUNPBUZDTHJI-XPOJVAQCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (14643447)
ChEBI Ontology
Outgoing Relation(s)
Cortol (CHEBI:3898) is a 21-hydroxy steroid (CHEBI:35344)
Synonyms  Source
CortolKEGG COMPOUND
3alpha,11beta,17,20alpha,21-PentahydroxypregnaneHMDB
alpha-CortolHMDB
5beta-Pregnane-3alpha,11beta,17,20,21-pentolHMDB
20alpha-CortolHMDB
(1S,2S,5R,7R,10S,11S,14R,15S,17S)-14-[(1S)-1,2-dihydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14,17-triolHMDB
Manual XrefsDatabases
C05482KEGG COMPOUND
CORTOLMetaCyc
HMDB0003180HMDB
Registry NumbersSources
CAS:516-38-1KEGG COMPOUND
Citations