KEGG   COMPOUND: C03794Help
Entry
C03794                      Compound                               
Name
N6-(1,2-Dicarboxyethyl)-AMP;
N6-(1,2-Dicarboxyethyl)AMP;
Adenylosuccinate;
Adenylosuccinic acid
Formula
C14H18N5O11P
Exact mass
463.074
Mol weight
463.2934
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Purine metabolism
Alanine, aspartate and glutamate metabolism
Metabolic pathways
Enzyme
4.3.2.2         6.3.4.4
Other DBs
CAS: 
19046-78-7
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   N4y N    30.3102  -17.4397
            2   C8y C    29.0232  -17.0210
            3   C1y C    29.4479  -19.7202
            4   C8x C    31.1037  -16.3400
            5   C8y C    29.0232  -15.6589
            6   N5x N    27.8297  -17.7021
            7   O2x O    28.3232  -18.9018
            8   C1y C    29.0357  -20.9948
            9   N5x N    30.3166  -15.2529
            10  C8y C    27.8422  -14.9653
            11  C8x C    26.6363  -16.9585
            12  C1y C    27.2237  -19.6952
            13  C1y C    27.6548  -20.9948
            14  O1a O    29.8416  -22.0883
            15  N1b N    27.8547  -13.6096
            16  N5x N    26.6488  -15.6464
            17  C1b C    25.9304  -19.2953
            18  O1a O    26.8800  -22.1008
            19  C1c C    27.8698  -12.0164
            20  O2b O    24.5745  -19.2953
            21  C1b C    26.6888  -11.3414
            22  C6a C    29.0443  -11.3414
            23  P1b P    23.2124  -19.2953
            24  C6a C    25.5143  -12.0164
            25  O6a O    30.2254  -12.0164
            26  O6a O    29.0382   -9.9794
            27  O1c O    21.8566  -19.2953
            28  O1c O    23.2124  -20.6574
            29  O1c O    23.2124  -17.9394
            30  O6a O    24.3396  -11.3352
            31  O6a O    25.4504  -13.3784
BOND        33
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 1
            15   10  16 2
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   19  15 1 #Up
            19   17  20 1
            20   19  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24   22  25 1
            25   22  26 2
            26   23  27 1
            27   23  28 1
            28   23  29 2
            29   24  30 1
            30   24  31 2
            31    5   9 1
            32   11  16 1
            33   12  13 1

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