PC-Compound ::= {
  id {
    id cid 60145874
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16,
      17,
      18,
      19,
      20,
      21,
      22,
      23,
      24,
      25,
      26,
      27,
      28,
      29,
      30,
      31
    },
    element {
      mg,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    },
    charge {
      {
        aid 1,
        value 2
      },
      {
        aid 2,
        value -1
      },
      {
        aid 3,
        value -1
      }
    }
  },
  bonds {
    aid1 {
      1,
      1,
      2,
      3,
      4,
      4,
      5,
      5,
      6,
      7,
      8,
      9,
      10,
      10,
      10,
      11,
      11,
      11,
      12,
      12,
      12,
      13,
      13,
      13,
      14,
      14,
      14,
      15,
      15,
      15
    },
    aid2 {
      2,
      3,
      17,
      18,
      16,
      30,
      19,
      31,
      17,
      16,
      18,
      19,
      12,
      26,
      27,
      13,
      28,
      29,
      14,
      16,
      20,
      15,
      19,
      21,
      17,
      22,
      23,
      18,
      24,
      25
    },
    order {
      ionic,
      ionic,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      double,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 12,
      above 10,
      top 14,
      bottom 16,
      below 20,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 13,
      above 11,
      top 15,
      bottom 19,
      below 21,
      parity clockwise,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        twod,
        computed,
        units-unknown
      },
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31
      },
      conformers {
        {
          x {
            { 77331, 10, -4 },
            { 85991, 10, -4 },
            { 68671, 10, -4 },
            { 129292, 10, -4 },
            { 25369, 10, -4 },
            { 94651, 10, -4 },
            { 120632, 10, -4 },
            { 6001, 10, -3 },
            { 3403, 10, -3 },
            { 111972, 10, -4 },
            { 4269, 10, -3 },
            { 111972, 10, -4 },
            { 4269, 10, -3 },
            { 103312, 10, -4 },
            { 5135, 10, -3 },
            { 120632, 10, -4 },
            { 94651, 10, -4 },
            { 6001, 10, -3 },
            { 3403, 10, -3 },
            { 106603, 10, -4 },
            { 48059, 10, -4 },
            { 107297, 10, -4 },
            { 99326, 10, -4 },
            { 55335, 10, -4 },
            { 47365, 10, -4 },
            { 106603, 10, -4 },
            { 117341, 10, -4 },
            { 3732, 10, -3 },
            { 48059, 10, -4 },
            { 134662, 10, -4 },
            { 2, 10, 0 }
          },
          y {
            { -95, 10, -3 },
            { 405, 10, -3 },
            { 405, 10, -3 },
            { -95, 10, -3 },
            { -95, 10, -3 },
            { -1095, 10, -3 },
            { 1405, 10, -3 },
            { -1095, 10, -3 },
            { 1405, 10, -3 },
            { -1095, 10, -3 },
            { -1095, 10, -3 },
            { -95, 10, -3 },
            { -95, 10, -3 },
            { 405, 10, -3 },
            { 405, 10, -3 },
            { 405, 10, -3 },
            { -95, 10, -3 },
            { -95, 10, -3 },
            { 405, 10, -3 },
            { -405, 10, -3 },
            { -405, 10, -3 },
            { 8799, 10, -4 },
            { 8799, 10, -4 },
            { 8799, 10, -4 },
            { 8799, 10, -4 },
            { -1405, 10, -3 },
            { -1405, 10, -3 },
            { -1405, 10, -3 },
            { -1405, 10, -3 },
            { 215, 10, -3 },
            { 215, 10, -3 }
          },
          style {
            annotation {
              wedge-up,
              wedge-down
            },
            aid1 {
              12,
              13
            },
            aid2 {
              10,
              11
            }
          }
        }
      }
    }
  },
  charge 0,
  props {
    {
      urn {
        label "Compound",
        name "Canonicalized",
        datatype uint,
        release "2012.05.21"
      },
      value ival 1
    },
    {
      urn {
        label "Compound Complexity",
        datatype double,
        implementation "E_COMPLEXITY",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value fval { 303, 10, 0 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 10
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 4
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 8
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value binary '00000371C0733C00000020000000000000000000000000000000000000
000000000000000000001E00100800000828C18004000800400200080000900800000000000000
000081800000020018000000004000061000000000430000000000000000000000000000000000
0000000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "magnesium;(3S)-3-amino-4-hydroxy-4-oxo-butanoate"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "magnesium;(3S)-3-amino-4-hydroxy-4-oxobutanoate"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "magnesium;(3S)-3-amino-4-hydroxy-4-oxobutanoate"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "magnesium;(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoate"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "magnesium;(3S)-3-amino-4-hydroxy-4-keto-butyrate"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "InChI=1S/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,
7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "RXMQCXCANMAVIO-CEOVSRFSSA-L"
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 288044407, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value sval "C8H12MgN2O8"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 28849448, 10, -5 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "C(C(C(=O)O)N)C(=O)[O-].C(C(C(=O)O)N)C(=O)[O-].[Mg+2]"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "C([C@@H](C(=O)O)N)C(=O)[O-].C([C@@H](C(=O)O)N)C(=O)[O-].[Mg+
2]"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value fval { 207, 10, 0 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 288044407, 10, -6 }
    }
  },
  count {
    heavy-atom 19,
    atom-chiral 2,
    atom-chiral-def 2,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 3,
    tautomers 1
  }
}