KEGG   COMPOUND: C14695Help
Entry
C14695                      Compound                               

Name
Nitrilotriacetic acid;
Triglycollamic acid;
Nitrilotriacetate
Formula
C6H9NO6
Exact mass
191.043
Mol weight
191.1388
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C14695  Nitrilotriacetic acid
BRITE hierarchy
Other DBs
CAS: 
139-13-9
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        13
            1   N1c N    19.6000  -13.9300
            2   C1b C    20.8124  -14.6300
            3   C1b C    18.3876  -14.6300
            4   C1b C    19.6000  -12.5300
            5   C6a C    20.8124  -11.8300
            6   C6a C    20.8125  -16.0298
            7   C6a C    17.1921  -13.9396
            8   O6a O    16.0047  -14.6251
            9   O6a O    17.1920  -12.5303
            10  O6a O    22.0079  -12.5204
            11  O6a O    20.8125  -10.4302
            12  O6a O    22.0081  -16.7202
            13  O6a O    19.5832  -16.7397
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     4   5 1
            5     2   6 1
            6     3   7 1
            7     7   8 1
            8     7   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1

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