CHEBI:186521 - Endoxifen sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Endoxifen sulfate
ChEBI ID CHEBI:186521
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H27NO5S
Net Charge 0
Average Mass 453.550
Monoisotopic Mass 453.16099
InChI InChI=1S/C25H27NO5S/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(14-10-20)30-18-17-26-2)21-11-15-23(16-12-21)31-32(27,28)29/h4-16,26H,3,17-18H2,1-2H3,(H,27,28,29)/b25-24+
InChIKey DHSITAIKYQFMGG-OCOZRVBESA-N
SMILES S(OC1=CC=C(\C(=C(/CC)\C2=CC=CC=C2)\C3=CC=C(OCCNC)C=C3)C=C1)(O)(=O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Endoxifen sulfate (CHEBI:186521) is a stilbenoid (CHEBI:26776)
IUPAC Name
[4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] hydrogen sulate
Manual Xrefs Databases
30778636 ChemSpider
HMDB0061140 HMDB
View more database links