CHEBI:185936 - 6-sulfatoxymelatonin

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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 6-sulfatoxymelatonin
ChEBI ID CHEBI:185936
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16N2O6S
Net Charge 0
Average Mass 328.340
Monoisotopic Mass 328.07291
InChI InChI=1S/C13H16N2O6S/c1-8(16)14-4-3-9-7-15-11-6-13(21-22(17,18)19)12(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,16)(H,17,18,19)
InChIKey QQEILXDLZRLTME-UHFFFAOYSA-N
SMILES S(OC=1C=C2NC=C(C2=CC1OC)CCNC(=O)C)(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 6-sulfatoxymelatonin (CHEBI:185936) is a acetamides (CHEBI:22160)
IUPAC Name
[3-(2-acetamidoethyl)-5-methoxy-1H-indol-6-yl] hydrogen sulate
Manual Xrefs Databases
58606 ChemSpider
HMDB0041815 HMDB
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Registry Number Type Source
2208-40-4 CAS Registry Number ChemIDplus