18314432
  -OEChem-04252402302D

 16 13  0     1  0  0  0  0  0999 V2000
    3.5006    1.1828    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    2.7188    0.5593    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1204    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5006    2.1828    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9413    3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3100    1.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100    1.6828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7439    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7439    0.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    2.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801    2.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7439    3.2038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1394    2.7217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5003    5.7812    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  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  4   1   2   2  -1   4  -1  16   1
M  END
> <PUBCHEM_COMPOUND_CID>
18314432

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
122

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiOAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACCjBgAQACABAAAAIAACQCAAAAAAAAAAAAIGAAAACABgAAAAAAAAGEAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
zinc;2-aminobutanedioate;hydron

> <PUBCHEM_IUPAC_CAS_NAME>
zinc;2-aminobutanedioate;hydron

> <PUBCHEM_IUPAC_NAME_MARKUP>
zinc;2-aminobutanedioate;hydron

> <PUBCHEM_IUPAC_NAME>
zinc;2-aminobutanedioate;hydron

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
zinc;2-azanylbutanedioate;hydron

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
zinc;2-aminosuccinate;hydron

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

> <PUBCHEM_IUPAC_INCHIKEY>
ORCZNRDIGZRGLV-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
195.958824

> <PUBCHEM_MOLECULAR_FORMULA>
C4H6NO4Zn+

> <PUBCHEM_MOLECULAR_WEIGHT>
197.5

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

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

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
195.958824

> <PUBCHEM_TOTAL_CHARGE>
1

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  6  3

$$$$