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CHEBI:1188 - 2-methoxy-17β-estradiol 3-sulfate

ChEBI IDCHEBI:1188
ChEBI Name2-methoxy-17β-estradiol 3-sulfate
Stars
ASCII Name2-methoxy-17beta-estradiol 3-sulfate
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H26O6S
Net Charge0
Average Mass382.478
Monoisotopic Mass382.14501
SMILES[H][C@@]12CCc3cc(OS(=O)(=O)O)c(OC)cc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H26O6S/c1-19-8-7-12-13(15(19)5-6-18(19)20)4-3-11-9-17(25-26(21,22)23)16(24-2)10-14(11)12/h9-10,12-13,15,18,20H,3-8H2,1-2H3,(H,21,22,23)/t12-,13+,15-,18-,19-/m0/s1
InChIKeyHKVMUVAMCRTTDB-SSTWWWIQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methoxy-17β-estradiol 3-sulfate (CHEBI:1188) has functional parent 17β-estradiol (CHEBI:16469)
2-methoxy-17β-estradiol 3-sulfate (CHEBI:1188) is a steroid sulfate (CHEBI:16158)
Synonym  Source
2-Methoxyestradiol-17beta 3-sulfateKEGG COMPOUND
Manual XrefsDatabases
C08359KEGG COMPOUND