KEGG   COMPOUND: C05151Help
Entry
C05151                      Compound                               

Name
12-O-Tetradecanoylphorbol 13-acetate;
TPA;
Phorbol 12-myristate 13-acetate;
12-Tetradecanoylphorbol 13-acetate;
PMA
Formula
C36H56O8
Exact mass
616.3975
Mol weight
616.825
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010433 Tigliane and ingenane diterpenoids
     C05151  12-O-Tetradecanoylphorbol 13-acetate
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Tiglianes
    C05151  12-O-Tetradecanoylphorbol 13-acetate
BRITE hierarchy
Other DBs
CAS: 
16561-29-8
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        44
            1   C1z C    36.7907  -16.0789
            2   C1y C    36.8211  -17.4848
            3   C1z C    38.0041  -16.6973
            4   C1y C    35.4560  -15.4618
            5   O7a O    37.9328  -15.3728
            6   C1y C    35.6500  -18.2740
            7   C1a C    39.1917  -17.3914
            8   C1a C    39.1917  -15.9853
            9   C1y C    34.3607  -16.2378
            10  O7a O    35.4444  -14.0616
            11  C7a C    37.9269  -13.9727
            12  C1z C    34.3854  -17.6439
            13  C2x C    35.9564  -19.6449
            14  C1a C    33.0318  -15.6266
            15  C1a C    39.1390  -13.2607
            16  O6a O    36.7031  -13.2724
            17  C1y C    33.1382  -18.2506
            18  O1a O    34.3737  -19.0441
            19  C2y C    35.0621  -20.7272
            20  C1z C    32.8029  -19.5969
            21  C2x C    31.9438  -17.5024
            22  C1x C    33.6619  -20.7155
            23  C1b C    35.6617  -21.9977
            24  C5x C    31.4084  -19.7033
            25  O1a O    32.7912  -21.0030
            26  C2y C    30.8789  -18.4153
            27  O1a O    37.0561  -21.9920
            28  O5x O    30.6674  -20.8980
            29  C1a C    29.5138  -18.0798
            30  C7a C    34.2321  -13.3612
            31  C1b C    33.0249  -14.0601
            32  O6a O    34.2314  -11.9634
            33  C1b C    31.8177  -13.3612
            34  C1b C    30.6105  -14.0601
            35  C1b C    29.4033  -13.3612
            36  C1b C    28.1961  -14.0601
            37  C1b C    26.9889  -13.3612
            38  C1b C    25.7817  -14.0601
            39  C1b C    24.5745  -13.3612
            40  C1b C    23.3674  -14.0601
            41  C1b C    22.1602  -13.3612
            42  C1b C    20.9530  -14.0601
            43  C1b C    19.7458  -13.3612
            44  C1a C    18.5386  -14.0601
BOND        47
            1    11  16 2
            2    12  17 1
            3    12  18 1 #Down
            4    13  19 2
            5    17  20 1
            6    17  21 1
            7    19  22 1
            8    19  23 1
            9    20  24 1
            10   20  25 1 #Up
            11   21  26 2
            12   23  27 1
            13   24  28 2
            14   26  29 1
            15    2   3 1
            16    9  12 1
            17   20  22 1
            18   24  26 1
            19   10  30 1
            20    1   2 1
            21   30  31 1
            22    1   3 1
            23   30  32 2
            24    1   4 1
            25   31  33 1
            26    1   5 1 #Down
            27   33  34 1
            28    2   6 1
            29   34  35 1
            30    3   7 1
            31   35  36 1
            32    3   8 1
            33   36  37 1
            34    4   9 1
            35   37  38 1
            36    4  10 1 #Up
            37   38  39 1
            38    5  11 1
            39   39  40 1
            40    6  12 1
            41   40  41 1
            42    6  13 1
            43   41  42 1
            44    9  14 1 #Down
            45   42  43 1
            46   11  15 1
            47   43  44 1

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