71311552
  -OEChem-04192421402D

 63 56  0     1  0  0  0  0  0999 V2000
    8.5996    1.8100    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    8.5996    6.6200    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.7331   10.9300    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    6.5991   11.4300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8671   11.4300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9292   10.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   10.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632   12.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    9.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   12.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    9.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7336    1.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7336    6.1200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8676    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8676    7.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2695    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2695    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    9.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    5.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972   10.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2690   10.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3312   11.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   11.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    1.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0016    6.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1355    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632   11.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   10.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   11.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   10.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8676    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8676    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2695    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2695    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341   10.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059   10.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297   11.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326   11.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   11.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365   11.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5385    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5385    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5341    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7370    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5341    7.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7370    7.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341    9.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6602    9.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    9.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    9.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4646    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5385    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4646    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5385    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4662   11.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 33  1  0  0  0  0
  5 35  1  0  0  0  0
  6 32  1  0  0  0  0
  6 60  1  0  0  0  0
  7 34  1  0  0  0  0
  7 61  1  0  0  0  0
  8 32  2  0  0  0  0
  9 33  2  0  0  0  0
 10 34  2  0  0  0  0
 11 35  2  0  0  0  0
 12 38  1  0  0  0  0
 12 62  1  0  0  0  0
 13 39  1  0  0  0  0
 13 63  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 36  2  0  0  0  0
 17 37  2  0  0  0  0
 18 38  2  0  0  0  0
 19 39  2  0  0  0  0
 24 20  1  1  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 25 21  1  6  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 28 22  1  1  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 29 23  1  1  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 26  1  0  0  0  0
 24 32  1  0  0  0  0
 24 40  1  0  0  0  0
 25 27  1  0  0  0  0
 25 34  1  0  0  0  0
 25 41  1  0  0  0  0
 26 33  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 35  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 30  1  0  0  0  0
 28 36  1  0  0  0  0
 28 46  1  0  0  0  0
 29 31  1  0  0  0  0
 29 37  1  0  0  0  0
 29 47  1  0  0  0  0
 30 38  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 39  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  CHG  7   1   1   2   1   3   2   4  -1   5  -1  14  -1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
71311552

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
430

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
20

> <PUBCHEM_CACTVS_HBOND_DONOR>
8

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7vgAAYCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAACQCAAAAAAAAAAAAIGAAAACABgAAAAAQAAGEAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;dipotassium;(2S)-2-amino-4-hydroxy-4-oxo-butanoate;(3S)-3-amino-4-hydroxy-4-oxo-butanoate

> <PUBCHEM_IUPAC_CAS_NAME>
magnesium;dipotassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(3S)-3-amino-4-hydroxy-4-oxobutanoate

> <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;dipotassium;(2<I>S</I>)-2-amino-4-hydroxy-4-oxobutanoate;(3<I>S</I>)-3-amino-4-hydroxy-4-oxobutanoate

> <PUBCHEM_IUPAC_NAME>
magnesium;dipotassium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(3S)-3-amino-4-hydroxy-4-oxobutanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;dipotassium;(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoate;(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;dipotassium;(2S)-2-amino-4-hydroxy-4-keto-butyrate;(3S)-3-amino-4-hydroxy-4-keto-butyrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4C4H7NO4.2K.Mg/c4*5-2(4(8)9)1-3(6)7;;;/h4*2H,1,5H2,(H,6,7)(H,8,9);;;/q;;;;2*+1;+2/p-4/t4*2-;;;/m0000.../s1

> <PUBCHEM_IUPAC_INCHIKEY>
LVBRFZFUCKKGDJ-HJWRJIQTSA-J

> <PUBCHEM_EXACT_MASS>
630.0311853

> <PUBCHEM_MOLECULAR_FORMULA>
C16H24K2MgN4O16

> <PUBCHEM_MOLECULAR_WEIGHT>
630.9

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

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

> <PUBCHEM_CACTVS_TPSA>
414

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
630.0311853

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
7

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
3  4  7
3  5  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
24  20  5
25  21  6
28  22  5
29  23  5

$$$$