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CHEBI:1427 - 3-(3-hydroxyphenyl)propanoic acid
| Formula | C9H10O3 |
| Net Charge | 0 |
| Average Mass | 166.176 |
| Monoisotopic Mass | 166.06299 |
| SMILES | O=C(O)CCc1cccc(O)c1 |
| InChI | InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) |
| InChIKey | QVWAEZJXDYOKEH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) has functional parent propionic acid (CHEBI:30768) |
| 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) has role Escherichia coli metabolite (CHEBI:76971) |
| 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) has role human xenobiotic metabolite (CHEBI:76967) |
| 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) is a monocarboxylic acid (CHEBI:25384) |
| 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) is conjugate acid of 3-(3-hydroxyphenyl)propanoate (CHEBI:57277) |
| Incoming Relation(s) |
| 3-(m-hydroxyphenyl)propanoyl-CoA (CHEBI:87996) has functional parent 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) |
| 3-(3-hydroxyphenyl)propanoate (CHEBI:57277) is conjugate base of 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) |
| IUPAC Name |
|---|
| 3-(3-hydroxyphenyl)propanoic acid |
| Synonyms | Source |
|---|---|
| 3-(3-Hydroxy-phenyl)-propanoic acid | KEGG COMPOUND |
| 3-(3-hydroxyphenyl)propionic acid | NIST Chemistry WebBook |
| 3-(m-hydroxyphenyl)propionic acid | NIST Chemistry WebBook |
| Dihydro-3-coumaric acid | KEGG COMPOUND |
| β-(m-hydroxyphenyl)propionic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| 3-HYDROXYPHENYL-PROPIONATE | MetaCyc |
| C11457 | KEGG COMPOUND |
| HMDB0000375 | HMDB |
| Citations |
|---|