57485406
  -OEChem-05082422552D

 14 11  0     0  0  0  0  0  0999 V2000
    0.0000    1.9875    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3360    3.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1675    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3705    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729    4.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7990    4.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  2  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57485406

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
42.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCMAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACABAAgAIAACQCAAAAAAAAAAAAICAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminoacetic acid;zinc;hydrate

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminoacetic acid;zinc;hydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-aminoacetic acid;zinc;hydrate

> <PUBCHEM_IUPAC_NAME>
2-aminoacetic acid;zinc;hydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanylethanoic acid;zinc;hydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoacetic acid;zinc;hydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H5NO2.H2O.Zn/c3-1-2(4)5;;/h1,3H2,(H,4,5);1H2;

> <PUBCHEM_IUPAC_INCHIKEY>
XQEYUACKPPFXEL-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
156.971735

> <PUBCHEM_MOLECULAR_FORMULA>
C2H7NO3Zn

> <PUBCHEM_MOLECULAR_WEIGHT>
158.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(=O)O)N.O.[Zn]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(=O)O)N.O.[Zn]

> <PUBCHEM_CACTVS_TPSA>
64.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
156.971735

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$