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

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ChEBI Name 4-phenylbutanic acid-O-sulphate ChEBI ID CHEBI:88699 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H12O5S Net Charge 0 Average Mass 244.266 Monoisotopic Mass 244.04054 InChI InChI=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) InChIKey QSAHCHSSSJBMMN-UHFFFAOYSA-N SMILES C=1C=CC=CC1CCCC(OS(=O)(=O)O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 4-phenylbutanic acid-O-sulphate (CHEBI:88699) is a organic sulfate (CHEBI:25704) Synonym Source sulfo 4-phenylbutanoate HMDB Manual Xref Database HMDB0059983 HMDB View more database links Citation Type Source 22827565 PubMed citation Europe PMC