Ketcher 01162311252D 1   1.00000     0.00000     0

 20 19  0     0  0            999 V2000
   14.8875   -7.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875   -8.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7536   -8.9127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0216   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0216   -9.9127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875  -10.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875  -11.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7536  -11.9127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0216  -11.9127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1555  -10.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2895   -9.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4234  -10.4127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4234  -11.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5574  -11.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5574  -12.9127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913  -11.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5574   -9.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5574   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913   -8.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4234   -8.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  2  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  5 10  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  7  9  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 12 17  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 14 16  1  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 18 20  1  0     0  0
M  CHG  4   3  -1   9  -1  16  -1  20  -1
M  END
> <ID>
CHEBI:42191

> <NAME>
EDTA(4-)

> <DEFINITION>
A tetracarboxylic acid anion formed by deprotonation of all four carboxy groups in ethylenediaminetetraacetic acid (EDTA).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:30378

> <SYNONYM>
ethylenediaminetetraacetate tetraanion; ethylenediaminetetraacetate; ethylenediamine tetraacetic acid tetraanion; EDTA, ion(4-); EDTA tetraanion; 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate; (ethylenedinitrilo)tetraacetic acid, ion(4-)

> <IUPAC_NAME>
(ethane-1,2-diyldinitrilo)tetraacetate

> <FORMULA>
C10H12N2O8

> <MASS>
288.214

> <MONOISOTOPIC_MASS>
288.06156

> <CHARGE>
-4

> <SMILES>
[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O

> <INCHI>
InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-4

> <INCHIKEY>
KCXVZYZYPLLWCC-UHFFFAOYSA-J

> <BEILSTEIN_REGISTRY_NUMBER>
3914756

> <CAS_REGISTRY_NUMBER>
150-43-6

> <GMELIN_REGISTRY_NUMBER>
144943

> <CHEMIDPLUS>
150-43-6

> <AGRICOLA_CITATION>
IND601129247; IND605249959

> <PUBMED_CITATION>
11370764; 16472851; 22116197; 22232891; 23587055; 31704581; 32821617; 33811400; 34152137; 34277313

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