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ChEBI
> Main
CHEBI:133508 - ferulic acid 4-sulfate
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ChEBI Ontology
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ChEBI Name
ferulic acid 4-sulfate
ChEBI ID
CHEBI:133508
Definition
A member of the class of cinnamic acids that is ferulic acid in which the phenolic hydrogen has been replaced by a sulfo group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H10O7S
Net Charge
0
Average Mass
274.249
Monoisotopic Mass
274.01472
InChI
InChI=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+
InChIKey
PZPATWACAAOHTJ-HWKANZROSA-N
SMILES
C(/C=C/C1=CC(=C(C=C1)OS(O)(=O)=O)OC)(O)=O
Metabolite of Species
Details
Rattus norvegicus
(NCBI:txid10116)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
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
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ferulic acid 4-sulfate (
CHEBI:133508
)
has functional parent
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
ferulic acid 4-sulfate anion (
CHEBI:133512
)
is conjugate base of
ferulic acid 4-sulfate (
CHEBI:133508
)
IUPAC Name
(2
E
)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid
Synonym
Source
ferulic acid sulfate
ChEBI
Manual Xref
Database
HMDB0029200
HMDB
View more database links
Registry Numbers
Types
Sources
6605856
Reaxys Registry Number
Reaxys
86321-29-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
21417257
PubMed citation
Europe PMC
24503197
PubMed citation
Europe PMC
25787755
PubMed citation
Europe PMC
Last Modified
29 September 2016