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CHEBI:230004 - 4-Androsten-17.beta.-ol-3-one sulfate

ChEBI IDCHEBI:230004
ChEBI Name4-Androsten-17.beta.-ol-3-one sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O5S
Net Charge0
Average Mass368.495
Monoisotopic Mass368.16574
SMILESC[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2OS(=O)(=O)O
InChIInChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14?,15?,16?,17-,18-,19-/m0/s1
InChIKeyWAQBISPOEAOCOG-PPORCNLBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
4-Androsten-17.beta.-ol-3-one sulfate (CHEBI:230004) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
[(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulate