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CHEBI:188234 - Phenylephrine 3-O-sulfate

ChEBI IDCHEBI:188234
ChEBI NamePhenylephrine 3-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H13NO5S
Net Charge0
Average Mass247.272
Monoisotopic Mass247.05144
SMILESCNC[C@H](O)c1cccc(OS(=O)(=O)O)c1
InChIInChI=1S/C9H13NO5S/c1-10-6-9(11)7-3-2-4-8(5-7)15-16(12,13)14/h2-5,9-11H,6H2,1H3,(H,12,13,14)/t9-/m0/s1
InChIKeyRNPCQQLCTVIPNU-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Phenylephrine 3-O-sulfate (CHEBI:188234) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl] hydrogen sulate
Manual XrefsDatabases
34984043ChemSpider
Registry NumbersSources
CAS:1242184-39-9ChemIDplus