EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
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: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. 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. |
| 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 |
|---|