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CHEBI:27637 - 3,4-dihydroxymandelic acid
| Formula | C8H8O5 |
| Net Charge | 0 |
| Average Mass | 184.147 |
| Monoisotopic Mass | 184.03717 |
| SMILES | O=C(O)C(O)c1ccc(O)c(O)c1 |
| InChI | InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13) |
| InChIKey | RGHMISIYKIHAJW-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Roles: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4-dihydroxymandelic acid (CHEBI:27637) has functional parent mandelic acid (CHEBI:35825) |
| 3,4-dihydroxymandelic acid (CHEBI:27637) has role antioxidant (CHEBI:22586) |
| 3,4-dihydroxymandelic acid (CHEBI:27637) has role drug metabolite (CHEBI:49103) |
| 3,4-dihydroxymandelic acid (CHEBI:27637) has role human metabolite (CHEBI:77746) |
| 3,4-dihydroxymandelic acid (CHEBI:27637) has role mouse metabolite (CHEBI:75771) |
| 3,4-dihydroxymandelic acid (CHEBI:27637) is a 2-hydroxy monocarboxylic acid (CHEBI:49302) |
| 3,4-dihydroxymandelic acid (CHEBI:27637) is a catechols (CHEBI:33566) |
| 3,4-dihydroxymandelic acid (CHEBI:27637) is conjugate acid of 3,4-dihydroxymandelate (CHEBI:53326) |
| Incoming Relation(s) |
| 3,4-dihydroxymandelate (CHEBI:53326) is conjugate base of 3,4-dihydroxymandelic acid (CHEBI:27637) |
| IUPAC Name |
|---|
| 2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid |
| Synonyms | Source |
|---|---|
| 3,4-Dihydroxymandelate | KEGG COMPOUND |
| (3,4-dihydroxyphenyl)(hydroxy)acetic acid | IUPAC |
| 3,4-Dihydroxyphenylglycolic acid | HMDB |
| DOMA | ChEBI |
| 3,4-Dihydroxymandelic acid | KEGG COMPOUND |
| Dihydroxymandelic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C05580 | KEGG COMPOUND |
| HMDB0001866 | HMDB |
| 3,4-Dihydroxymandelic_acid | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2104039 | Reaxys |
| CAS:775-01-9 | ChemIDplus |
| CAS:775-01-9 | KEGG COMPOUND |
| Citations |
|---|