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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methoxy-17β-estradiol 3-sulfate
ChEBI ID CHEBI:1188
ChEBI ASCII Name 2-methoxy-17beta-estradiol 3-sulfate
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H26O6S
Net Charge 0
Average Mass 382.473
Monoisotopic Mass 382.14501
InChI InChI=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
InChIKey HKVMUVAMCRTTDB-SSTWWWIQSA-N
SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1OS(O)(=O)=O
ChEBI Ontology
Outgoing 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-sulfate KEGG COMPOUND
Manual Xref Database
C08359 KEGG COMPOUND
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Last Modified
28 July 2014