EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:88703
ChEBI Name4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate
Stars
DownloadsMolfile
FormulaC11H14O6S
Net Charge0
Average Mass274.294
Monoisotopic Mass274.05111
SMILESO=C(CCC(O)Cc1ccccc1)OS(=O)(=O)O
InChIInChI=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)
InChIKeyZCVMPBGBUWWKNR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
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-phenylpentanoateHMDB
Manual XrefsDatabases
HMDB0059981HMDB
Citations