CHEBI:88683 - 4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-O-sulphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-O-sulphate
ChEBI ID CHEBI:88683
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C11H14O7S
Net Charge 0
Average Mass 290.291
Monoisotopic Mass 290.04602
InChI InChI=1S/C11H14O7S/c12-9(3-6-11(13)14)7-8-1-4-10(5-2-8)18-19(15,16)17/h1-2,4-5,9,12H,3,6-7H2,(H,13,14)(H,15,16,17)
InChIKey GIYMZAJHBZLOGR-UHFFFAOYSA-N
SMILES C=1C=C(C=CC1OS(=O)(=O)O)CC(CCC(O)=O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing 4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-O-sulphate (CHEBI:88683) is a alcohol (CHEBI:30879)
4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-O-sulphate (CHEBI:88683) is a phenols (CHEBI:33853)
Synonym Source
4-hydroxy-5-[4-(sulfooxy)phenyl]pentanoic acid HMDB
Manual Xref Database
HMDB0059976 HMDB
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Citation Waiting for Citations Type Source
22827565 PubMed citation Europe PMC