CHEBI:133530 - tyramine sulfate

ChEBI IDCHEBI:133530
ChEBI Nametyramine sulfate
Stars
DefinitionAn aryl sulfate that is tyramine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group.
Last Modified30 September 2016
SubmitterSteve
DownloadsMolfile
FormulaC8H11NO4S
Net Charge0
Average Mass217.246
Monoisotopic Mass217.04088
SMILESNCCc1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)
InChIKeyDYDUXGMDSXJQFT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (8432957)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
tyramine sulfate (CHEBI:133530) has functional parent tyramine (CHEBI:15760)
tyramine sulfate (CHEBI:133530) has role human urinary metabolite (CHEBI:84087)
tyramine sulfate (CHEBI:133530) has role human xenobiotic metabolite (CHEBI:76967)
tyramine sulfate (CHEBI:133530) is a aryl sulfate (CHEBI:37919)
tyramine sulfate (CHEBI:133530) is a primary amino compound (CHEBI:50994)
tyramine sulfate (CHEBI:133530) is tautomer of tyramine sulfate zwitterion (CHEBI:133531)
Incoming Relation(s)
tyramine sulfate zwitterion (CHEBI:133531) is tautomer of tyramine sulfate (CHEBI:133530)
IUPAC Name 
4-(2-aminoethyl)phenyl hydrogen sulfate
Synonyms  Source
[4-(2-aminoethyl)phenyl]oxidanesulfonic acidHMDB
tyramine O-sulfateChEBI
tyramine O-sulphateChEBI
tyramine sulphateChEBI
Manual XrefsDatabases
HMDB0006409HMDB
Registry NumbersSources
CAS:30223-92-8ChemIDplus
Citations