KEGG   COMPOUND: C05993Help
Entry
C05993                      Compound                               

Name
Acetyl adenylate;
5'-Acetylphosphoadenosine
Formula
C12H16N5O8P
Exact mass
389.0736
Mol weight
389.2579
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00230  Purine metabolism
map00620  Pyruvate metabolism
map01100  Metabolic pathways
Enzyme
3.6.1.20        6.2.1.1
Other DBs
CAS: 13015-87-7
PubChem: 8267
ChEBI: 37666
PDB-CCD: 6R9[PDBj]
3DMET: B01944
NIKKAJI: J227.896K
LinkDB All DBs
KCF data Show

ATOM        26
            1   N4y N    29.5402  -19.9266
            2   C8y C    30.6113  -20.6660
            3   C1y C    28.2596  -20.3458
            4   C8x C    30.0233  -18.5296
            5   C8y C    31.8452  -19.7578
            6   N5x N    30.7451  -22.0861
            7   O2x O    27.1187  -19.4900
            8   C1y C    27.8288  -21.5972
            9   N5x N    31.4727  -18.5354
            10  C8y C    33.1027  -20.3108
            11  C8x C    32.0724  -22.6741
            12  C1y C    26.0128  -20.2875
            13  C1y C    26.4434  -21.5972
            14  O1a O    28.4866  -22.8721
            15  N5x N    33.2656  -21.8010
            16  N1a N    34.2086  -19.4844
            17  C1b C    24.6914  -19.8569
            18  O1a O    25.9254  -22.8487
            19  O2b O    23.6552  -20.7822
            20  P1b P    22.2581  -20.7822
            21  O7a O    20.8671  -20.7822
            22  O1c O    22.2525  -22.1793
            23  O1c O    22.2525  -19.3912
            24  C7a C    19.6476  -20.0900
            25  C1a C    18.4351  -20.7900
            26  O6a O    19.6425  -18.6903
BOND        28
            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 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23    5   9 1
            24   11  15 1
            25   12  13 1
            26   21  24 1
            27   24  25 1
            28   24  26 2

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