Marvin  09300511352D          

 26 25  0  0  0  0            999 V2000
    0.6500   -5.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3645   -4.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790   -5.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7934   -4.7171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079   -5.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2224   -4.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368   -5.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6514   -4.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3658   -5.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0803   -4.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7948   -5.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5092   -4.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2237   -5.1296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9382   -4.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6527   -5.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3672   -4.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3645   -3.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7934   -3.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079   -3.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079   -2.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2224   -3.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6527   -5.9546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2237   -5.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5092   -6.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5092   -7.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7948   -5.9546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  2  2  0  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 15  2  0  0  0  0
 23 13  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
> <ID>
CHEBI:30740

> <NAME>
ethylene glycol bis(2-aminoethyl)tetraacetic acid

> <DEFINITION>
A  diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively.

> <STAR>
3

> <SYNONYM>
H4egta; ethylene glycol-O,O'-bis(2-aminoethyl)-N,N,N',N'-tetraacetic acid; ethylene glycol bis(beta-aminoethyl ether)-N,N,N',N'-tetraacetic acid; Egtazic acid; EGTA; [ethylenebis(oxyethylenenitrilo)]tetraacetic acid; 3,12-bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecanedioic acid

> <IUPAC_NAME>
2,2',2'',2'''-[ethane-1,2-diylbis(oxyethane-2,1-diylnitrilo)]tetraacetic acid

> <FORMULA>
C14H24N2O10

> <MASS>
380.34784

> <MONOISOTOPIC_MASS>
380.14309

> <CHARGE>
0

> <SMILES>
OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O

> <INCHI>
InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)

> <INCHIKEY>
DEFVIWRASFVYLL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1717370

> <CAS_REGISTRY_NUMBER>
67-42-5

> <GMELIN_REGISTRY_NUMBER>
234970

> <REAXYS_REGISTRY_NUMBER>
1717370

> <CHEMIDPLUS>
67-42-5

> <WIKIPEDIA_ACCESSION>
EGTA_(chemical)

> <PUBMED_CITATION>
11034152; 18804143

$$$$