KEGG   COMPOUND: C03634Help
Entry
C03634                      Compound                               

Name
Phorbol 12,13-dibutanoate;
Phorbol-12,13-dibutyrate
Formula
C28H40O8
Exact mass
504.2723
Mol weight
504.6124
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010433 Tigliane and ingenane diterpenoids
     C03634  Phorbol 12,13-dibutanoate
BRITE hierarchy
Other DBs
CAS: 37558-16-0
PubChem: 6417
ChEBI: 17598
ChEMBL: CHEMBL27768
NIKKAJI: J246.188I
LinkDB All DBs
KCF data Show

ATOM        36
            1   C1z C    30.1291  -15.3531
            2   C1y C    30.5311  -16.6863
            3   C1y C    28.7639  -15.0533
            4   C1z C    31.4817  -15.6784
            5   O7a O    30.4738  -13.8666
            6   C1y C    29.5869  -17.7072
            7   C1y C    27.8199  -16.0739
            8   O7a O    28.3556  -13.7262
            9   C1a C    32.8085  -16.0293
            10  C1a C    32.4578  -14.6895
            11  C7a C    30.4738  -12.4822
            12  C1z C    28.2409  -17.4010
            13  C2x C    30.1866  -18.9511
            14  C1a C    27.1117  -14.8745
            15  C7a C    27.6539  -12.5270
            16  C1b C    31.6795  -11.7870
            17  O6a O    29.2744  -11.7870
            18  C1y C    27.1500  -18.2557
            19  O1a O    26.8693  -16.0867
            20  C2y C    29.5869  -20.2079
            21  C1b C    26.2695  -12.5333
            22  O6a O    28.3429  -11.3211
            23  C1b C    32.8789  -12.4822
            24  C1z C    27.1627  -19.6529
            25  C2x C    25.8231  -17.8411
            26  C1x C    28.2409  -20.5141
            27  C1b C    30.4545  -21.2924
            28  C1b C    25.5805  -13.7390
            29  C1a C    34.0845  -11.7870
            30  C5x C    25.8359  -20.0867
            31  O1a O    27.1627  -21.0373
            32  C2y C    25.0192  -18.9574
            33  O1a O    29.9506  -22.5812
            34  C1a C    24.1899  -13.7517
            35  O5x O    25.4083  -21.4073
            36  C1a C    23.6348  -18.9574
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1 #Down
            14    8  15 1
            15   11  16 1
            16   11  17 2
            17   12  18 1
            18   12  19 1 #Down
            19   13  20 2
            20   15  21 1
            21   15  22 2
            22   16  23 1
            23   18  24 1
            24   18  25 1
            25   20  26 1
            26   20  27 1
            27   21  28 1
            28   23  29 1
            29   24  30 1
            30   24  31 1 #Up
            31   25  32 2
            32   27  33 1
            33   28  34 1
            34   30  35 2
            35   32  36 1
            36    2   4 1
            37    7  12 1
            38   24  26 1
            39   30  32 1

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