-OEChem-03131213512D

 20 19  0     1  0  0  0  0  0999 V2000
   30.4563  -13.7165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0325  -13.7165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6681  -14.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.8858  -16.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5436  -14.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3259  -16.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0325  -16.5191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6030  -16.5191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.8206  -14.4216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7555  -17.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2503  -15.8199    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   29.2503  -14.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8206  -15.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4563  -16.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6681  -15.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7555  -16.5191    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.3910  -15.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5436  -15.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9615  -15.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1792  -16.5191    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
 11  7  1  6  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  0  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>
6235

> <PUBCHEM_SUBSTANCE_VERSION>
8

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C03406

> <PUBCHEM_SUBSTANCE_COMMENT>
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00250+C03406">map00250</a> Alanine, aspartate and glutamate metabolism
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00330+C03406">map00330</a> Arginine and proline metabolism
Is a reactant of enzyme EC: 4.3.2.1
Is a reactant of enzyme EC: 6.3.4.5

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-(Nomega-L-Arginino)succinate
2387-71-5
C03406
L-Argininosuccinate
L-Argininosuccinic acid
L-Arginosuccinic acid
N-(L-Arginino)succinate

> <PUBCHEM_GENERIC_REGISTRY_NAME>
2387-71-5

> <PUBCHEM_XREF_EXT_ID>
C03406

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C03406

> <PUBCHEM_CID_ASSOCIATIONS>
16950  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
16  10  6
11  7  6

$$$$