KEGG   COMPOUND: C12270Help
Entry
C12270                      Compound                               

Name
N-Acetyl-aspartyl-glutamate;
NAAG;
Isospaglumic acid
Formula
C11H16N2O8
Exact mass
304.0907
Mol weight
304.2533
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Neuroactive ligand-receptor interaction
Other DBs
CAS: 
3106-85-2
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C6a C    20.3700  -23.3800
            2   C1b C    21.5824  -22.6800
            3   C1b C    22.7949  -23.3800
            4   C1c C    24.0073  -22.6800
            5   C6a C    25.2197  -23.3800
            6   O6a O    26.4322  -22.6800
            7   O6a O    19.1576  -22.6800
            8   O6a O    20.3700  -24.7800
            9   O6a O    25.2197  -24.7799
            10  N1b N    24.0073  -21.2800
            11  C5a C    25.2218  -20.5788
            12  C1c C    25.2218  -19.1788
            13  O5a O    26.4183  -21.2698
            14  C1b C    26.4173  -18.4884
            15  C6a C    27.6056  -19.1745
            16  O6a O    28.7964  -18.4868
            17  O6a O    27.6058  -20.5798
            18  N1b N    23.9936  -18.4696
            19  C5a C    22.7891  -19.1651
            20  C1a C    21.6063  -18.4822
            21  O5a O    22.7887  -20.4397
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   7 1
            7     1   8 2
            8     5   9 2
            9     4  10 1 #Down
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13   12  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 2
            17   12  18 1 #Down
            18   18  19 1
            19   19  20 1
            20   19  21 2

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