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CHEBI:177554 - Estra-1,3,5(10)-trien-3-yl hydrogen sulfate

ChEBI IDCHEBI:177554
ChEBI NameEstra-1,3,5(10)-trien-3-yl hydrogen sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O4S
Net Charge0
Average Mass336.453
Monoisotopic Mass336.13953
SMILES[H][C@@]12CCc3cc(OS(=O)(=O)O)ccc3[C@@]1([H])CC[C@]1(C)CCC[C@]12[H]
InChIInChI=1S/C18H24O4S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H,19,20,21)/t15-,16-,17+,18+/m1/s1
InChIKeyKFFRVXQLZSOXIX-BDXSIMOUSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Estra-1,3,5(10)-trien-3-yl hydrogen sulfate (CHEBI:177554) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
[(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulate