EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88750 - 5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate

ChEBI IDCHEBI:88750
ChEBI Name5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate
Stars
DownloadsMolfile
FormulaC11H12O6S
Net Charge0
Average Mass272.278
Monoisotopic Mass272.03546
SMILESO=C1CCC(Cc2cccc(OS(=O)(=O)O)c2)O1
InChIInChI=1S/C11H12O6S/c12-11-5-4-9(16-11)6-8-2-1-3-10(7-8)17-18(13,14)15/h1-3,7,9H,4-6H2,(H,13,14,15)
InChIKeyDPRDYFJWDRNYAZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate (CHEBI:88750) is a sulfuric ester (CHEBI:26819)
Synonym  Source
{3-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acidHMDB
Manual XrefsDatabases
HMDB0059993HMDB
Citations