3-O-methyldopa (CHEBI:82913)

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ChEBI Name	3-O-methyldopa

ChEBI ID	CHEBI:82913

ChEBI ASCII Name	3-O-methyldopa

Definition	A L-tyrosine derivative that is the 3-methoxy derivative of L-dopa.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB71074836, ChemicalBook:CB4452184, eMolecules:483162, ZINC000001599375

Download	Molfile XML SDF

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Wikipedia	License
1,4-Butanediol, also called Butane-1,4-diol (other names include 1,4-B, BD, BDO and 1,4-BD), is a primary alcohol and an organic compound with the formula HOCH2CH2CH2CH2OH. It is a colorless viscous liquid first synthesized in 1890 via acidic hydrolysis of N,N'-dinitro-1,4-butanediamine by Dutch chemist Pieter Johannes Dekkers, who called it "tetramethylene glycol".
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Formula

C10H13NO4

Net Charge

Average Mass

211.217

Monoisotopic Mass

211.08446

InChI

InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1

InChIKey

PFDUUKDQEHURQC-ZETCQYMHSA-N

SMILES

O=C(O)[C@@H](N)CC=1C=C(C(=CC1)O)OC

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	3-O-methyldopa (CHEBI:82913) has functional parent L-dopa (CHEBI:15765) 3-O-methyldopa (CHEBI:82913) has role human metabolite (CHEBI:77746) 3-O-methyldopa (CHEBI:82913) is a L-tyrosine derivative (CHEBI:27177) 3-O-methyldopa (CHEBI:82913) is a monomethoxybenzene (CHEBI:25235) 3-O-methyldopa (CHEBI:82913) is a non-proteinogenic L-α-amino acid (CHEBI:83822) 3-O-methyldopa (CHEBI:82913) is tautomer of 3-O-methyldopa zwitterion (CHEBI:133668)

Incoming	3-O-methyldopa zwitterion (CHEBI:133668) is tautomer of 3-O-methyldopa (CHEBI:82913)

IUPAC Name

3-methoxy-L-tyrosine

Synonym	Source
L-3-(4-hydroxy-3-methoxyphenyl)-alanine	ChEBI

Last Modified

25 November 2019