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CHEBI:171954 - 11b,17a,21-Trihydroxypreg-nenolone

ChEBI IDCHEBI:171954
ChEBI Name11b,17a,21-Trihydroxypreg-nenolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESCC12CCC(O)CC1=CCC1C2C(O)CC2(C)C1CC[C@]2(O)C(=O)CO
InChIInChI=1S/C21H32O5/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/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13?,14?,15?,16?,18?,19?,20?,21-/m0/s1
InChIKeyHAFVWTUQBYRPOB-QGGNSXJXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
11b,17a,21-Trihydroxypreg-nenolone (CHEBI:171954) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
2-hydroxy-1-[(17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Manual XrefsDatabases
HMDB0006760HMDB
389583ChemSpider
C05489KEGG COMPOUND