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CHEBI:30753 - 4-aminobenzoic acid
| Formula | C7H7NO2 |
| Net Charge | 0 |
| Average Mass | 137.138 |
| Monoisotopic Mass | 137.04768 |
| SMILES | Nc1ccc(C(=O)O)cc1 |
| 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 |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (1644759) | |
| Arabidopsis thaliana (ncbitaxon:3702) | - | PubMed (14745019) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 1-O-(4-aminobenzoyl)-β-D-glucopyranose (CHEBI:139329) has functional parent 4-aminobenzoic acid (CHEBI:30753) |
| 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 | Source |
|---|---|
| 4-Aminobenzoic acid | KEGG COMPOUND |
| 4-AMINOBENZOIC ACID | PDBeChem |
| p-aminobenzoic acid | NIST Chemistry WebBook |
| para-aminobenzoic acid | NIST Chemistry WebBook |
| PABA | NIST Chemistry WebBook |
| ABEE | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C00568 | KEGG COMPOUND |
| PAB | PDBeChem |
| 4-Aminobenzoic_acid | Wikipedia |
| DB02362 | DrugBank |
| HMDB0001392 | HMDB |
| D02456 | KEGG DRUG |
| C00001401 | KNApSAcK |
| ECMDB01392 | ECMDB |
| YMDB00493 | YMDB |
| 2049 | DrugCentral |
| Citations |
|---|