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CHEBI:133508 - ferulic acid 4-sulfate

ChEBI IDCHEBI:133508
ChEBI Nameferulic acid 4-sulfate
Stars
DefinitionA member of the class of cinnamic acids that is ferulic acid in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified29 September 2016
SubmitterSteve
DownloadsMolfile
FormulaC10H10O7S
Net Charge0
Average Mass274.250
Monoisotopic Mass274.01472
SMILESCOc1cc(/C=C/C(=O)O)ccc1OS(=O)(=O)O
InChIInChI=1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+
InChIKeyPZPATWACAAOHTJ-HWKANZROSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (25787755)
Rattus norvegicus (ncbitaxon:10116) - PubMed (24503197)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
ferulic acid 4-sulfate (CHEBI:133508) has functional parent trans-ferulic acid (CHEBI:17620)
ferulic acid 4-sulfate (CHEBI:133508) has role human xenobiotic metabolite (CHEBI:76967)
ferulic acid 4-sulfate (CHEBI:133508) has role rat metabolite (CHEBI:86264)
ferulic acid 4-sulfate (CHEBI:133508) is a aryl sulfate (CHEBI:37919)
ferulic acid 4-sulfate (CHEBI:133508) is a cinnamic acids (CHEBI:23252)
ferulic acid 4-sulfate (CHEBI:133508) is a monomethoxybenzene (CHEBI:25235)
ferulic acid 4-sulfate (CHEBI:133508) is conjugate acid of ferulic acid 4-sulfate anion (CHEBI:133512)
Incoming Relation(s)
ferulic acid 4-sulfate anion (CHEBI:133512) is conjugate base of ferulic acid 4-sulfate (CHEBI:133508)
IUPAC Name 
(2E)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid
Synonym  Source
ferulic acid sulfateChEBI
Manual XrefsDatabases
HMDB0029200HMDB
Registry NumbersSources
Reaxys:6605856Reaxys
CAS:86321-29-1ChemIDplus
Citations