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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:88742 - Gentisuric acid
Main
ChEBI Ontology
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ChEBI Name
Gentisuric acid
ChEBI ID
CHEBI:88742
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Molfile
Formulae
C9H9NO5
C9H9NO5
Net Charge
0
Average Mass
211.172
Monoisotopic Mass
211.04807
InChI
InChI=1S/C9H9NO5/c11-5-1-2-7(12)6(3-5)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)
InChIKey
FBFATOOJCPDQOZ-UHFFFAOYSA-N
SMILES
C1(C(NCC(O)=O)=O)=C(C=CC(=C1)O)O
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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Gentisuric acid (
CHEBI:88742
)
is a
N
-acylglycine (
CHEBI:16180
)
Synonyms
Sources
2-[(2,5-dihydroxybenzoyl)amino]acetic acid
HMDB
2-[(2,5-dihydroxyphenyl)formamido]acetic acid
HMDB
n-(2,5-dihydroxybenzoyl)glycine
HMDB
Manual Xref
Database
HMDB0059999
HMDB
View more database links
Citation
Type
Source
417892
PubMed citation
Europe PMC
Last Modified
12 March 2018