-OEChem-03131213512D

 20 19  0     1  0  0  0  0  0999 V2000
    8.9845  -11.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7024  -10.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9879   -8.5457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7058   -9.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5407   -9.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8228  -11.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5519  -11.0341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1195  -11.0341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -9.7878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2553  -11.8624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2699  -10.6161    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9845  -11.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375  -10.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2699   -9.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9879   -9.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2553  -11.0341    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4057  -10.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5407  -10.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9733  -10.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6912  -11.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 12  1  0  0  0  0
  3 15  2  0  0  0  0
  4 15  1  0  0  0  0
  5 18  2  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  2  3  0  0  0
 16 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 14  1  1  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
804384

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIAID

> <PUBCHEM_EXT_DATASOURCE_REGID>
166734

> <PUBCHEM_SUBSTANCE_COMMENT>
NIAID ChemDB HIV, Opportunistic Infections and Tuberculosis Therapeutics Database
Amino Acids

> <PUBCHEM_SUBSTANCE_SYNONYM>
2387-71-5
Argininosuccinic acid
L-Aspartic acid, N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-, (S)-

> <PUBCHEM_GENERIC_REGISTRY_NAME>
2387-71-5

> <PUBCHEM_XREF_EXT_ID>
166734

> <PUBCHEM_PUBMED_ID>
6517562

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chemdb.niaid.nih.gov

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chemdb.niaid.nih.gov/CompoundDetails.aspx?AIDSNO=166734

> <PUBCHEM_CID_ASSOCIATIONS>
16950  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
16  10  6
11  14  5

$$$$