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CHEBI:133003 - androsterone sulfate(1−)

ChEBI IDCHEBI:133003
ChEBI Nameandrosterone sulfate(1−)
Stars
ASCII Nameandrosterone sulfate(1-)
DefinitionA steroid sulfate oxoanion that is the conjugate base of androsterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified31 March 2022
SubmitterSteve
DownloadsMolfile
FormulaC19H29O5S
Net Charge-1
Average Mass369.503
Monoisotopic Mass369.17412
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)/p-1/t12-,13+,14-,15-,16-,18-,19-/m0/s1
InChIKeyZMITXKRGXGRMKS-HLUDHZFRSA-M
ChEBI Ontology
Outgoing Relation(s)
androsterone sulfate(1−) (CHEBI:133003) is a steroid sulfate oxoanion (CHEBI:59696)
androsterone sulfate(1−) (CHEBI:133003) is conjugate base of androsterone sulfate (CHEBI:83037)
Incoming Relation(s)
androsterone sulfate (CHEBI:83037) is conjugate acid of androsterone sulfate(1−) (CHEBI:133003)
IUPAC Name 
17-oxo-5α-androstan-3α-yl sulfate
Synonyms  Source
androsterone sulfate anionChEBI
(3α,5α)-17-oxoandrostan-3-yl sulfateIUPAC
UniProt Name  Source
androsterone 3α-sulfateUniProt