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CHEBI:180657 - 3-amino-2,4-dihydroxybenzoate
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ChEBI Ontology
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ChEBI Name
3-amino-2,4-dihydroxybenzoate
ChEBI ID
CHEBI:180657
Definition
An aminobenzoate that is the conjugate base of 3-amino-2,4-dihydroxybenzoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C7H6NO4
Net Charge
-1
Average Mass
168.129
Monoisotopic Mass
168.03023
InChI
InChI=1S/C7H7NO4/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,9-10H,8H2,(H,11,12)/p-1
InChIKey
GBAYSGRTRJSJIK-UHFFFAOYSA-M
SMILES
NC1=C(O)C=CC(C([O-])=O)=C1O
ChEBI Ontology
Outgoing
3-amino-2,4-dihydroxybenzoate (
CHEBI:180657
)
is a
aminobenzoate (
CHEBI:22494
)
3-amino-2,4-dihydroxybenzoate (
CHEBI:180657
)
is a
dihydroxybenzoate (
CHEBI:36084
)
3-amino-2,4-dihydroxybenzoate (
CHEBI:180657
)
is conjugate base of
3-amino-2,4-dihydroxybenzoic acid (
CHEBI:184386
)
Incoming
3-amino-2,4-dihydroxybenzoic acid (
CHEBI:184386
)
is conjugate acid of
3-amino-2,4-dihydroxybenzoate (
CHEBI:180657
)
IUPAC Name
3-amino-2,4-dihydroxybenzoate
Synonyms
Sources
2,4-dihydroxy-3-aminobenzoate
ChEBI
3-amino-2,4-dihydroxybenzoate
UniProt
Manual Xref
Database
CPD-23563
MetaCyc
View more database links
Citations
Types
Sources
26278892
PubMed citation
SUBMITTER
29915173
PubMed citation
Europe PMC
Last Modified
30 November 2021