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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5beta-Androstan-3alpha-ol-17-one sulfate
ChEBI ID CHEBI:166770
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H30O5S
Net Charge 0
Average Mass 370.500
Monoisotopic Mass 370.18140
InChI InChI=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
InChIKey ZMITXKRGXGRMKS-BNSUEQOYSA-N
SMILES S(O[C@H]1C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=O)CC4)C)[H])(CC2)[H])[H])(CC1)C)[H])(O)(=O)=O
ChEBI Ontology
Outgoing 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
Manual Xref Database
8083069 ChemSpider
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