Marvin  04290818062D          

 14 14  0  0  1  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
 12  2  1  0  0  0  0
 10  3  1  0  0  0  0
  4  3  1  0  0  0  0
  1  5  1  0  0  0  0
  5  3  2  0  0  0  0
  2 13  1  0  0  0  0
 13  4  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
 11  6  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <ID>
CHEBI:15765

> <NAME>
L-dopa

> <DEFINITION>
An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease

> <STAR>
3

> <SECONDARY_ID>
CHEBI:75987; CHEBI:41871; CHEBI:49933; CHEBI:1377; CHEBI:11693; CHEBI:13098; CHEBI:19825

> <SYNONYM>
L-DOPA; L-Dopa; L-beta-(3,4-Dihydroxyphenyl)alanine; Dihydroxy-L-phenylalanine; beta-(3,4-dihydroxyphenyl)alanine; beta-(3,4-dihydroxyphenyl)-L-alanine; 3-Hydroxy-L-tyrosine; 3,4-DIHYDROXYPHENYLALANINE; 3,4-Dihydroxy-L-phenylalanine; (-)-dopa; (-)-3-(3,4-dihydroxyphenyl)-L-alanine

> <IUPAC_NAME>
L-dopa; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid

> <INN>
levodopum; levodopa

> <BRAND_NAME>
Dopar

> <FORMULA>
C9H11NO4

> <MASS>
197.18798

> <MONOISOTOPIC_MASS>
197.06881

> <CHARGE>
0

> <SMILES>
N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O

> <INCHI>
InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1

> <INCHIKEY>
WTDRDQBEARUVNC-LURJTMIESA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6060047

> <CAS_REGISTRY_NUMBER>
59-92-7

> <GMELIN_REGISTRY_NUMBER>
365846

> <REAXYS_REGISTRY_NUMBER>
2215169

> <CHEMIDPLUS>
59-92-7

> <DRUGBANK_ACCESSION>
DB01235

> <KEGG_COMPOUND_ACCESSION>
C00355

> <KEGG_DRUG_ACCESSION>
D00059

> <KNAPSACK_ACCESSION>
C00001357

> <LINCS_ACCESSION>
LSM-5481

> <METACYC_ACCESSION>
L-DIHYDROXY-PHENYLALANINE

> <NIST_CHEMISTRY_WEBBOOK>
59-92-7

> <PDBECHEM_ACCESSION>
DAH_LFOH

> <WIKIPEDIA_ACCESSION>
Levodopa

> <PUBMED_CITATION>
18690870; 22491024; 22592937; 23038403; 23127496; 23196068; 23206800; 23211937; 23357114; 23389842; 23389938; 23390548; 29438107; 8301021

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