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CHEBI:88699 - 4-phenylbutanic acid-O-sulphate

ChEBI IDCHEBI:88699
ChEBI Name4-phenylbutanic acid-O-sulphate
Stars
DownloadsMolfile
FormulaC10H12O5S
Net Charge0
Average Mass244.268
Monoisotopic Mass244.04054
SMILESO=C(CCCc1ccccc1)OS(=O)(=O)O
InChIInChI=1S/C10H12O5S/c11-10(15-16(12,13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13,14)
InChIKeyQSAHCHSSSJBMMN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
4-phenylbutanic acid-O-sulphate (CHEBI:88699) is a organic sulfate (CHEBI:25704)
Synonym  Source
sulfo 4-phenylbutanoateHMDB
Manual XrefsDatabases
HMDB0059983HMDB
Citations