U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H13NO4
Molecular Weight 211.2145
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-O-METHYLDOPA

SMILES

COC1=CC(C[C@H](N)C(O)=O)=CC=C1O

InChI

InChIKey=PFDUUKDQEHURQC-ZETCQYMHSA-N
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

HIDE SMILES / InChI

Molecular Formula C10H13NO4
Molecular Weight 211.2145
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:08:24 UTC 2023
Edited
by admin
on Fri Dec 15 15:08:24 UTC 2023
Record UNII
V3O7J20DWN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-O-METHYLDOPA
MI  
Common Name English
L-3-MTO
Common Name English
OM-DOPA
Common Name English
3-O-METHYLDOPA [MI]
Common Name English
OMD
Common Name English
(-)-3-O-METHYLDOPA
Common Name English
L-3-METHOXY-4-HYDROXYPHENYLALANINE
Common Name English
3-(4-HYDROXY-3-METHOXYPHENYL)-L-ALANINE
Systematic Name English
3-METHOXY-L-TYROSINE
Systematic Name English
Code System Code Type Description
CHEBI
82913
Created by admin on Fri Dec 15 15:08:24 UTC 2023 , Edited by admin on Fri Dec 15 15:08:24 UTC 2023
PRIMARY
FDA UNII
V3O7J20DWN
Created by admin on Fri Dec 15 15:08:24 UTC 2023 , Edited by admin on Fri Dec 15 15:08:24 UTC 2023
PRIMARY
CHEBI
133668
Created by admin on Fri Dec 15 15:08:24 UTC 2023 , Edited by admin on Fri Dec 15 15:08:24 UTC 2023
PRIMARY
PUBCHEM
9307
Created by admin on Fri Dec 15 15:08:24 UTC 2023 , Edited by admin on Fri Dec 15 15:08:24 UTC 2023
PRIMARY
WIKIPEDIA
3-O-Methyldopa
Created by admin on Fri Dec 15 15:08:24 UTC 2023 , Edited by admin on Fri Dec 15 15:08:24 UTC 2023
PRIMARY
CAS
300-48-1
Created by admin on Fri Dec 15 15:08:24 UTC 2023 , Edited by admin on Fri Dec 15 15:08:24 UTC 2023
PRIMARY
MESH
C008404
Created by admin on Fri Dec 15 15:08:24 UTC 2023 , Edited by admin on Fri Dec 15 15:08:24 UTC 2023
PRIMARY
MERCK INDEX
m7398
Created by admin on Fri Dec 15 15:08:24 UTC 2023 , Edited by admin on Fri Dec 15 15:08:24 UTC 2023
PRIMARY Merck Index
Related Record Type Details
SALT/SOLVATE -> PARENT
SOLVATE->ANHYDROUS
SALT/SOLVATE -> PARENT
RACEMATE -> ENANTIOMER
Related Record Type Details
PARENT -> METABOLITE
When decarboxylation of levodopa is prevented by carbidopa, COMT becomes the major metabolizing enzyme for levodopa, catalyzing its metabolism to 3-methoxy-4-hydroxy-L-phenylalanine (3-OMD).