Ketcher 06201610462D 1   1.00000     0.00000     0

 12 11  0     0  0            999 V2000
   13.2222   -4.9864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0882   -5.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3560   -5.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4900   -4.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6238   -5.4864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7580   -4.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   -4.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8202   -5.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   -3.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8918   -5.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0260   -4.9864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8918   -6.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  7  9  2  0     0  0
  6 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
M  END
> <ID>
CHEBI:132240

> <NAME>
ethylenediaminediacetic acid

> <DEFINITION>
An ethylenediamine derivative in which two of the four amine protons of ethylenediamine are replaced by carboxymethyl groups.

> <STAR>
3

> <SYNONYM>
N,N'-Ethylenediglycine; N,N'-Ethylenediaminediacetic acid; ethylenediamine-N,N'-diacetic acid; Ethylenediamine-N,N'-di(acetic acid); EDDA; 2,2'-(ethane-1,2-diyldiazanediyl)diacetic acid; 1,2-Bis(carboxymethylamino)ethane; ((2-[(Carboxymethyl)amino]ethyl)amino)acetic acid

> <FORMULA>
C6H12N2O4

> <MASS>
176.171

> <MONOISOTOPIC_MASS>
176.07971

> <CHARGE>
0

> <SMILES>
N(CC(O)=O)CCNCC(O)=O

> <INCHI>
InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)

> <INCHIKEY>
IFQUWYZCAGRUJN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5657-17-0

> <REAXYS_REGISTRY_NUMBER>
1778355

> <CHEMIDPLUS>
5657-17-0

> <METACYC_ACCESSION>
CPD-18915

> <NIST_CHEMISTRY_WEBBOOK>
5657-17-0

> <PUBMED_CITATION>
11157232; 25516099; 25561916; 27110232

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