CHEBI:88703 - 4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate

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ChEBI Name 4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate
ChEBI ID CHEBI:88703
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C11H14O6S
Net Charge 0
Average Mass 274.292
Monoisotopic Mass 274.05111
InChI InChI=1S/C11H14O6S/c12-10(8-9-4-2-1-3-5-9)6-7-11(13)17-18(14,15)16/h1-5,10,12H,6-8H2,(H,14,15,16)
InChIKey ZCVMPBGBUWWKNR-UHFFFAOYSA-N
SMILES C=1C=C(C=CC1)CC(CCC(OS(=O)(=O)O)=O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing 4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate (CHEBI:88703) is a alkyl sulfate (CHEBI:29281)
4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate (CHEBI:88703) is a fatty acid derivative (CHEBI:61697)
Synonym Source
sulfo 4-hydroxy-5-phenylpentanoate HMDB
Manual Xref Database
HMDB0059981 HMDB
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Citation Waiting for Citations Type Source
22827565 PubMed citation Europe PMC