EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:17879 - 4-hydroxybenzoate
| Formula | C7H5O3 |
| Net Charge | -1 |
| Average Mass | 137.114 |
| Monoisotopic Mass | 137.02442 |
| SMILES | O=C([O-])c1ccc(O)cc1 |
| InChI | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1 |
| InChIKey | FJKROLUGYXJWQN-UHFFFAOYSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Biological Roles: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). 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-hydroxybenzoate (CHEBI:17879) has functional parent benzoate (CHEBI:16150) |
| 4-hydroxybenzoate (CHEBI:17879) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| 4-hydroxybenzoate (CHEBI:17879) has role plant metabolite (CHEBI:76924) |
| 4-hydroxybenzoate (CHEBI:17879) is a monohydroxybenzoate (CHEBI:25388) |
| 4-hydroxybenzoate (CHEBI:17879) is conjugate base of 4-hydroxybenzoic acid (CHEBI:30763) |
| Incoming Relation(s) |
| sodium 4-hydroxybenzoate (CHEBI:113449) has part 4-hydroxybenzoate (CHEBI:17879) |
| 4-hydroxybenzoic acid (CHEBI:30763) is conjugate acid of 4-hydroxybenzoate (CHEBI:17879) |
| IUPAC Name |
|---|
| 4-hydroxybenzoate |
| Synonyms | Source |
|---|---|
| p-hydroxybenzoate | ChemIDplus |
| 4-hydroxybenzoic acid, ion(1−) | ChemIDplus |
| UniProt Name | Source |
|---|---|
| 4-hydroxybenzoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C00156 | KEGG COMPOUND |
| c0104 | UM-BBD |
| 4-hydroxybenzoate | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Gmelin:326508 | Gmelin |
| Reaxys:3589159 | Reaxys |
| CAS:456-23-5 | ChemIDplus |
| Citations |
|---|