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CHEBI:193023 - 4-O-methyl-L-dopa
| Formula | C10H13NO4 |
| Net Charge | 0 |
| Average Mass | 211.217 |
| Monoisotopic Mass | 211.08446 |
| SMILES | COc1ccc(C[C@H](N)C(=O)O)cc1O |
| InChI | InChI=1S/C10H13NO4/c1-15-9-3-2-6(5-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1 |
| InChIKey | QRXPIKKZQGWJMW-ZETCQYMHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000118) | PubMed (6518609) |
| 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: | rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-O-methyl-L-dopa (CHEBI:193023) has functional parent L-dopa (CHEBI:15765) |
| 4-O-methyl-L-dopa (CHEBI:193023) has role human metabolite (CHEBI:77746) |
| 4-O-methyl-L-dopa (CHEBI:193023) has role rat metabolite (CHEBI:86264) |
| 4-O-methyl-L-dopa (CHEBI:193023) is a L-tyrosine derivative (CHEBI:27177) |
| 4-O-methyl-L-dopa (CHEBI:193023) is a monomethoxybenzene (CHEBI:25235) |
| 4-O-methyl-L-dopa (CHEBI:193023) is a non-proteinogenic L-α-amino acid (CHEBI:83822) |
| 4-O-methyl-L-dopa (CHEBI:193023) is tautomer of 4-O-methyl-L-dopa zwitterion (CHEBI:192994) |
| Incoming Relation(s) |
| 4-O-methyl-L-dopa zwitterion (CHEBI:192994) is tautomer of 4-O-methyl-L-dopa (CHEBI:193023) |
| IUPAC Name |
|---|
| 3-hydroxy-O-methyl-L-tyrosine |
| Synonyms | Source |
|---|---|
| (2S)-2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid | IUPAC |
| 4-O-methyllevodopa | ChemIDplus |
| O-methyl-3-hydroxy-L-tyrosine | ChEBI |
| 3-hydroxy-4-methoxy-L-phenylalanine | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:35296-56-1 | ChemIDplus |
| Citations |
|---|