KEGG   DRUG: Edetic acid
Entry
D00052                      Drug                                   
Name
Edetic acid (NF/INN);
EDTA;
Versene acid (TN)
Formula
C10H16N2O8
Exact mass
292.0907
Mol weight
292.2426
Structure
Simcomp
Class
Vitamin and mineral
 DG01692  Chelator
Remark
Same as: C00284
ATC code: V03AB03
Chemical structure group: DG01152
Product (DG01152): D03943<JP/US>
Efficacy
Chelating agent (metal)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB03 Edetates
      D00052  Edetic acid (NF/INN)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01152  Edetate
    D00052  Edetic acid
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01152  Edetate
Other DBs
CAS: 60-00-4
PubChem: 7847120
ChEBI: 4735
PDB-CCD: EDT[PDBj]
LigandBox: D00052
NIKKAJI: J4.406G
KCF data

ATOM        20
            1   N1c N    20.2973  -16.5178
            2   C1b C    21.5147  -15.8222
            3   C1b C    19.0867  -15.8222
            4   C1b C    20.2973  -17.9217
            5   C1b C    22.7253  -16.5178
            6   C6a C    19.0867  -14.4183
            7   C6a C    19.0867  -18.6238
            8   N1c N    23.9427  -15.8222
            9   O6a O    17.8759  -13.7162
            10  O6a O    20.2973  -13.7162
            11  O6a O    19.0867  -20.2313
            12  O6a O    17.8759  -17.9217
            13  C1b C    25.1533  -16.5178
            14  C1b C    23.9427  -14.4183
            15  C6a C    25.1533  -17.9217
            16  C6a C    25.1533  -13.7162
            17  O6a O    26.3641  -18.6238
            18  O6a O    23.9427  -18.6238
            19  O6a O    26.3641  -14.4183
            20  O6a O    25.1533  -12.3187
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     6  10 2
            10    7  11 1
            11    7  12 2
            12    8  13 1
            13    8  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   16  20 2

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Ontology (2)   
   KEGG BRITE (2)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (7)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (12)   

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