PC-Compound ::= {
  id {
    id cid 85314
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16,
      17,
      18,
      19
    },
    element {
      na,
      o,
      o,
      o,
      o,
      n,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    },
    charge {
      {
        aid 1,
        value 1
      },
      {
        aid 3,
        value -1
      }
    }
  },
  bonds {
    aid1 {
      2,
      2,
      3,
      4,
      5,
      6,
      6,
      6,
      7,
      7,
      7,
      7,
      8,
      8,
      9,
      9,
      9
    },
    aid2 {
      11,
      19,
      10,
      10,
      11,
      8,
      17,
      18,
      8,
      9,
      12,
      13,
      10,
      14,
      11,
      15,
      16
    },
    order {
      single,
      single,
      single,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 8,
      above 6,
      top 7,
      bottom 10,
      below 14,
      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
      },
      conformers {
        {
          x {
            { 68301272392273, 10, -13 },
            { 25, 10, -1 },
            { 59641017913818, 10, -13 },
            { 50980763435364, 10, -13 },
            { 42320508956909, 10, -13 },
            { 33660254478455, 10, -13 },
            { 42320508956909, 10, -13 },
            { 42320508956909, 10, -13 },
            { 33660254478455, 10, -13 },
            { 50980763435364, 10, -13 },
            { 33660254478455, 10, -13 },
            { 4444103717804, 10, -12 },
            { 4842631816864, 10, -12 },
            { 42320508956909, 10, -13 },
            { 3153972864151, 10, -12 },
            { 27554445266724, 10, -13 },
            { 2829089641571, 10, -12 },
            { 33660254478455, 10, -13 },
            { 25, 10, -1 }
          },
          y {
            { 41199998855591, 10, -13 },
            { 619999885559082, 10, -15 },
            { 36199998855591, 10, -13 },
            { 51199998855591, 10, -13 },
            { 619999885559082, 10, -15 },
            { 41199998855591, 10, -13 },
            { 26199998855591, 10, -13 },
            { 36199998855591, 10, -13 },
            { 21199998855591, 10, -13 },
            { 41199998855591, 10, -13 },
            { 11199998855591, 10, -13 },
            { 20373904705048, 10, -13 },
            { 27276618480682, 10, -13 },
            { 42399997711182, 10, -13 },
            { 27026093006134, 10, -13 },
            { 20123381614685, 10, -13 },
            { 38099999427795, 10, -13 },
            { 47399997711182, 10, -13 },
            { 0, 10, 0 }
          },
          style {
            annotation {
              wedge-down
            },
            aid1 {
              8
            },
            aid2 {
              6
            }
          }
        }
      }
    }
  },
  charge 0,
  props {
    {
      urn {
        label "Compound",
        name "Canonicalized",
        datatype uint,
        release "2007.06.29"
      },
      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 { 139, 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 5
    },
    {
      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 2
    },
    {
      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 3
    },
    {
      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 '00000371C0623820000000000000000000000000000000000000000000
000000000000000000001E00100800000828C18004000800400200080000900800000000000000
000081800000020012008000004000041000000000AC2600000000000000000000000000000000
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 "sodium;(2S)-2-amino-5-hydroxy-5-oxo-pentanoate"
    },
    {
      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 "sodium;(2S)-2-amino-5-hydroxy-5-oxopentanoate"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "sodium;(2S)-2-amino-5-hydroxy-5-oxopentanoate"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "sodium;(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "sodium;(2S)-2-amino-5-hydroxy-5-keto-valerate"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,
8)(H,9,10);/q;+1/p-1/t3-;/m0./s1"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "LPUQAYUQRXPFSQ-DFWYDOINSA-M"
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 169035102, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value sval "C5H8NNaO4"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 169111089, 10, -6 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "C(CC(=O)O)C(C(=O)[O-])N.[Na+]"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "C(CC(=O)O)[C@@H](C(=O)[O-])N.[Na+]"
    },
    {
      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 { 103, 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 { 169035102, 10, -6 }
    }
  },
  count {
    heavy-atom 11,
    atom-chiral 1,
    atom-chiral-def 1,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 2,
    tautomers 1
  }
}