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CHEBI:166770 - 5beta-Androstan-3alpha-ol-17-one sulfate

ChEBI IDCHEBI:166770
ChEBI Name5beta-Androstan-3alpha-ol-17-one sulfate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O5S
Net Charge0
Average Mass370.511
Monoisotopic Mass370.18140
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C2
InChIInChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKeyZMITXKRGXGRMKS-BNSUEQOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5beta-Androstan-3alpha-ol-17-one sulfate (CHEBI:166770) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
[(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulate
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