-OEChem-03131213512D

 38 37  0     1  0  0  0  0  0999 V2000
   13.9189   -4.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2048   -5.7582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7742   -6.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2032   -6.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573   -5.7569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3478   -4.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6322   -4.5206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2032   -4.5206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4901   -3.6956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9177   -5.7581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0611   -4.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7756   -4.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3466   -4.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4901   -4.5206    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4887   -4.9331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9177   -4.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7742   -4.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2046   -4.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4887   -5.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0598   -4.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6738   -3.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4484   -3.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3883   -5.6615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1629   -5.6615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9593   -5.6615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7340   -5.6615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2045   -4.1081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2032   -5.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6322   -3.6956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2033   -3.6956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3869   -3.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1616   -3.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2045   -3.2831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7756   -3.2831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6322   -6.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6335   -4.9327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7742   -6.9956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3416   -6.1673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 36  1  0  0  0  0
  2 18  2  0  0  0  0
  3 19  1  0  0  0  0
  3 37  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  1  0  0  0  0
  5 38  1  0  0  0  0
  6 20  2  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 30  1  0  0  0  0
 14  9  1  6  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 16  2  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  1  0  0  0
 15 17  1  0  0  0  0
 15 19  1  6  0  0  0
 15 28  1  1  0  0  0
 17 20  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
126522979

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
811

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMDB00052

> <PUBCHEM_SUBSTANCE_COMMENT>
Disorders: Argininemia
Biofluids: Blood, Urine

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-(N(omega)-L-arginine)succinate
2-(N(omega)-L-arginine)succinic acid
2-(N(omega)-L-arginino)succinate
2-(N(omega)-L-arginino)succinic acid
2-(Nw-L-arginino)butanedioate
2-(Nw-L-arginino)butanedioic acid
ASA
Argininosuccinate
Argininosuccinic acid
Arginosuccinate
Arginosuccinic acid
HMDB00052
L-Argininosuccinate
L-Argininosuccinic acid
L-Arginosuccinate
L-Arginosuccinic acid
N(omega)-(L-arginino)succinate
N(omega)-(L-arginino)succinic acid
N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-L-Aspartate
N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-L-Aspartic acid
N-(L-Arginino)succinate
N-(L-Arginino)succinic acid
N-(L-arginino) succinate
N-(L-arginino) succinic acid
N-[(4-amino-4-carboxybutyl)amidino]-L-Aspartate
N-[(4-amino-4-carboxybutyl)amidino]-L-Aspartic acid
N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-L-Aspartate
N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-L-Aspartic acid

> <PUBCHEM_XREF_EXT_ID>
HMDB00052

> <PUBCHEM_PUBMED_ID>
174426
484552
624188
9844057
12403252
12408190
12559843
12686410
12701806
15465784

> <PUBCHEM_EXT_DATASOURCE_URL>
http://hmdb.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://hmdb.ca/metabolites/HMDB00052

> <PUBCHEM_CID_ASSOCIATIONS>
16950  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
14  27  5
15  19  6
15  28  5
14  9  6

$$$$