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ChEBI
> Main
CHEBI:82913 - 3-
O
-methyldopa
Main
ChEBI Ontology
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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
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Formula
C10H13NO4
Net Charge
0
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 (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
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
Manual Xrefs
Databases
3-O-Methyldopa
Wikipedia
3YM
PDBeChem
HMDB0001434
HMDB
View more database links
Registry Numbers
Types
Sources
2379987
Reaxys Registry Number
Reaxys
300-48-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
23503547
PubMed citation
Europe PMC
24513538
PubMed citation
Europe PMC
Last Modified
25 November 2019