60145876
  -OEChem-05241304322D

 15 13  0     1  0  0  0  0  0999 V2000
    2.0000   -0.7078    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.7818   -1.3313    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2922    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3802   -1.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5593    1.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906   -0.2078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1906   -0.2078    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7568    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568   -1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818    0.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5205   -0.7328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612    0.8311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568    1.3132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5006    0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5006   -0.7447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
60145876

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
137

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiOAAAACAAAAAAAAAAAAAAAAAAAAAAAAAABIAAAAAAAAAAHgAQAAAACCjBgAQACABAAAAIAACQCAAAAAAAAAAAAIGAAAACABgAAAAAAAAGEAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;2-aminobutanedioate

> <PUBCHEM_IUPAC_CAS_NAME>
magnesium;2-aminobutanedioate

> <PUBCHEM_IUPAC_NAME>
magnesium;2-aminobutanedioate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;2-azanylbutanedioate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;2-aminosuccinate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H7NO4.Mg/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
NFFJLMKHRCXLJO-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
155.006899

> <PUBCHEM_MOLECULAR_FORMULA>
C4H5MgNO4

> <PUBCHEM_MOLECULAR_WEIGHT>
155.3918

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(=O)[O-])N)C(=O)[O-].[Mg+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(C(=O)[O-])N)C(=O)[O-].[Mg+2]

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
155.006899

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
7

> <PUBCHEM_NONSTANDARDBOND>
1  2  7
1  3  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  6  3

$$$$