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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
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This entity has been manually annotated by a third party.
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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
View more database links
Citation
Type
Source
22827565
PubMed citation
Europe PMC