Marvin  04160815202D          

 14 13  0  0  1  0            999 V2000
   -0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  3 11  1  1  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  5  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
> <ID>
CHEBI:17929

> <NAME>
N(omega),N(omega)-dimethyl-L-arginine

> <DEFINITION>
A L-arginine derivative  having two methyl groups both attached to the primary amino moiety of the guanidino group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41833; CHEBI:7432; CHEBI:12680; CHEBI:21908; CHEBI:25683

> <SYNONYM>
N(G1),N(G1)-dimethylarginine; N(G)-dimethylarginine; N(G),N(G)-dimethylarginine; NG,NG-Dimethyl-L-arginine; NG,NG-DIMETHYL-L-ARGININE; NG,NG-Dimethyl-L-arginine; N(5)-((dimethylamino)iminomethyl)-L-ornithine; N,N-dimethylarginine; guanidino-N,N-dimethylarginine; asymmetric dimethylarginine; ADMA

> <IUPAC_NAME>
N(5)-[(dimethylamino)(imino)methyl]-L-ornithine; N(5)-(N,N-dimethylcarbamimidoyl)-L-ornithine; (2S)-2-amino-5-{[(dimethylamino)(imino)methyl]amino}pentanoic acid; (2S)-2-amino-5-(N',N'-dimethylcarbamimidamido)pentanoic acid

> <FORMULA>
C8H18N4O2

> <MASS>
202.25428

> <MONOISOTOPIC_MASS>
202.14298

> <CHARGE>
0

> <SMILES>
CN(C)C(=N)NCCC[C@H](N)C(O)=O

> <INCHI>
InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1

> <INCHIKEY>
YDGMGEXADBMOMJ-LURJTMIESA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2261521

> <CAS_REGISTRY_NUMBER>
30315-93-6

> <CHEMIDPLUS>
30315-93-6

> <DRUGBANK_ACCESSION>
DB01686

> <KEGG_COMPOUND_ACCESSION>
C03626

> <PDBECHEM_ACCESSION>
DA2

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