CHEBI:1191 - 2-methoxyestrone 3-sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methoxyestrone 3-sulfate
ChEBI ID CHEBI:1191
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H24O6S
Net Charge 0
Average Mass 380.457
Monoisotopic Mass 380.12936
InChI InChI=1S/C19H24O6S/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/h9-10,12-13,15H,3-8H2,1-2H3,(H,21,22,23)/t12-,13-,15-,19+/m1/s1
InChIKey SCVLBAOQZXPGMZ-XXZHDZSNSA-N
SMILES COc1cc2[C@@H]3CC[C@@]4(C)[C@H](CCC4=O)[C@@H]3CCc2cc1OS(O)(=O)=O
ChEBI Ontology
Outgoing 2-methoxyestrone 3-sulfate (CHEBI:1191) has functional parent estrone (CHEBI:17263)
2-methoxyestrone 3-sulfate (CHEBI:1191) is a steroid sulfate (CHEBI:16158)
Synonym Source
2-Methoxyestrone 3-sulfate KEGG COMPOUND
Manual Xref Database
C08358 KEGG COMPOUND
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Last Modified
28 July 2014