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ChEBI
> Main
CHEBI:88402 - vanilpyruvic acid
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ChEBI Ontology
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ChEBI Name
vanilpyruvic acid
ChEBI ID
CHEBI:88402
Definition
A 2-oxo monocarboxylic acid that is 3,4-dihydroxyphenylpyruvic acid in which the hydroxy group at position 3 is substituted by a methoxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H10O5
Net Charge
0
Average Mass
210.185
Monoisotopic Mass
210.05282
InChI
InChI=1S/C10H10O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)
InChIKey
YGQHQTMRZPHIBB-UHFFFAOYSA-N
SMILES
COC1=CC(CC(=O)C(O)=O)=CC=C1O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. 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 urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
vanilpyruvic acid (
CHEBI:88402
)
has functional parent
3,4-dihydroxyphenylpyruvic acid (
CHEBI:19891
)
vanilpyruvic acid (
CHEBI:88402
)
has role
human urinary metabolite (
CHEBI:84087
)
vanilpyruvic acid (
CHEBI:88402
)
is a
2-oxo monocarboxylic acid (
CHEBI:35910
)
vanilpyruvic acid (
CHEBI:88402
)
is a
monomethoxybenzene (
CHEBI:25235
)
vanilpyruvic acid (
CHEBI:88402
)
is a
phenols (
CHEBI:33853
)
vanilpyruvic acid (
CHEBI:88402
)
is conjugate acid of
vanilpyruvate (
CHEBI:195231
)
Incoming
vanilpyruvate (
CHEBI:195231
)
is conjugate base of
vanilpyruvic acid (
CHEBI:88402
)
IUPAC Name
3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid
Synonyms
Sources
(4-hydroxy-3-methoxyphenyl)pyruvic acid
ChEBI
3-methoxy-4-hydroxyphenylpyruvic acid
ChEBI
4-hydroxy-3-methoxy-α-oxobenzenepropanoic acid
ChEBI
4-hydroxy-3-methoxyphenylpyruvic acid
ChEBI
guaiacylpyruvic acid
ChEBI
vanil pyruvic acid
HMDB
vanylpyruvic acid
ChEBI
Manual Xrefs
Databases
FDB028400
FooDB
HMDB0011714
HMDB
View more database links
Registry Numbers
Types
Sources
1081-71-6
CAS Registry Number
ChEBI
2697319
Reaxys Registry Number
Reaxys
Citations
Types
Sources
14187485
PubMed citation
Europe PMC
16288991
PubMed citation
Europe PMC
1759713
PubMed citation
Europe PMC
28856
PubMed citation
Europe PMC
5962916
PubMed citation
Europe PMC
657406
PubMed citation
Europe PMC
709835
PubMed citation
Europe PMC
714986
PubMed citation
Europe PMC
716472
PubMed citation
Europe PMC
Last Modified
19 May 2023