CHEBI:30753 - 4-aminobenzoic acid

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ChEBI Name 4-aminobenzoic acid
ChEBI ID CHEBI:30753
Definition An aminobenzoic acid in which the amino group is para to the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44778, CHEBI:113372, CHEBI:1783, CHEBI:20315
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Formula C7H7NO2
Net Charge 0
Average Mass 137.136
Monoisotopic Mass 137.04768
InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey ALYNCZNDIQEVRV-UHFFFAOYSA-N
SMILES C1(C(O)=O)=CC=C(N)C=C1
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
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ChEBI Ontology
Outgoing 4-aminobenzoic acid (CHEBI:30753) has functional parent benzoic acid (CHEBI:30746)
4-aminobenzoic acid (CHEBI:30753) has role Escherichia coli metabolite (CHEBI:76971)
4-aminobenzoic acid (CHEBI:30753) has role allergen (CHEBI:50904)
4-aminobenzoic acid (CHEBI:30753) has role plant metabolite (CHEBI:76924)
4-aminobenzoic acid (CHEBI:30753) is a aminobenzoic acid (CHEBI:22495)
4-aminobenzoic acid (CHEBI:30753) is conjugate acid of 4-aminobenzoate (CHEBI:17836)
4-aminobenzoic acid (CHEBI:30753) is conjugate base of 4-carboxyanilinium (CHEBI:194473)
4-aminobenzoic acid (CHEBI:30753) is tautomer of 4-ammoniobenzoate (CHEBI:194474)
Incoming 4-(hydroxyamino)benzoic acid (CHEBI:231474) has functional parent 4-aminobenzoic acid (CHEBI:30753)
4-(oxaloamino)benzoic acid (CHEBI:30875) has functional parent 4-aminobenzoic acid (CHEBI:30753)
4-acetamidobenzoic acid (CHEBI:46171) has functional parent 4-aminobenzoic acid (CHEBI:30753)
ascr#8 (CHEBI:78834) has functional parent 4-aminobenzoic acid (CHEBI:30753)
butamben (CHEBI:3231) has functional parent 4-aminobenzoic acid (CHEBI:30753)
procaine (CHEBI:8430) has functional parent 4-aminobenzoic acid (CHEBI:30753)
4-carboxyanilinium (CHEBI:194473) is conjugate acid of 4-aminobenzoic acid (CHEBI:30753)
4-aminobenzoate (CHEBI:17836) is conjugate base of 4-aminobenzoic acid (CHEBI:30753)
4-ammoniobenzoate (CHEBI:194474) is tautomer of 4-aminobenzoic acid (CHEBI:30753)
IUPAC Name
4-aminobenzoic acid
Synonyms Sources
1-Amino-4-carboxybenzene HMDB
4-Amino-benzoic acid ChEMBL
4-Aminobenzoesäure ChEBI
4-Aminobenzoic acid KEGG COMPOUND
4-AMINOBENZOIC ACID PDBeChem
4-Carboxyaniline HMDB
4-Carboxyphenylamine HMDB
ABEE KEGG COMPOUND
γ-aminobenzoic acid HMDB
gamma-Aminobenzoic acid HMDB
p-Aminobenzoesäure ChEBI
p-aminobenzoic acid NIST Chemistry WebBook
p-carboxyaniline HMDB
p-carboxyphenylamine HMDB
PABA NIST Chemistry WebBook
para-aminobenzoic acid NIST Chemistry WebBook
Manual Xrefs Databases
2049 DrugCentral
4-Aminobenzoic_acid Wikipedia
C00001401 KNApSAcK
C00568 KEGG COMPOUND
D02456 KEGG DRUG
DB02362 DrugBank
ECMDB01392 ECMDB
HMDB0001392 HMDB
PAB PDBeChem
YMDB00493 YMDB
View more database links
Registry Numbers Types Sources
150-13-0 CAS Registry Number KEGG COMPOUND
150-13-0 CAS Registry Number NIST Chemistry WebBook
150-13-0 CAS Registry Number ChemIDplus
471605 Reaxys Registry Number Reaxys
50150 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
12039592 PubMed citation ChEMBL
14745019 PubMed citation Europe PMC
15115392 PubMed citation ChEMBL
1527790 PubMed citation ChEMBL
16290145 PubMed citation ChEMBL
17149871 PubMed citation ChEMBL
17743450 PubMed citation Europe PMC
17800214 PubMed citation Europe PMC
19469519 PubMed citation Europe PMC
22767283 PubMed citation Europe PMC
22994574 PubMed citation Europe PMC
23063996 PubMed citation Europe PMC
23084339 PubMed citation Europe PMC
23144588 PubMed citation Europe PMC
23471007 PubMed citation Europe PMC
3599019 PubMed citation ChEMBL
3820215 PubMed citation ChEMBL
3950915 PubMed citation ChEMBL
8411009 PubMed citation ChEMBL
9406595 PubMed citation ChEMBL
Last Modified
28 May 2024