KEGG   COMPOUND: C03019Help
Entry
C03019                      Compound                               

Name
Phorbol 13-butanoate
Formula
C24H34O7
Exact mass
434.2305
Mol weight
434.5226
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
     C03019  Phorbol 13-butanoate
BRITE hierarchy
Other DBs
PubChem: 5925
ChEBI: 17727
ChEMBL: CHEMBL3586005
NIKKAJI: J366.990D
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1z C    30.1204  -15.1374
            2   C1y C    30.5219  -16.4625
            3   C1z C    31.4712  -15.4559
            4   C1y C    28.7570  -14.8314
            5   O7a O    30.4644  -13.6528
            6   C1y C    29.5788  -17.4883
            7   C1a C    32.7963  -15.8062
            8   C1a C    32.4460  -14.4683
            9   C1y C    27.8141  -15.8572
            10  O1a O    28.3429  -13.5125
            11  C7a C    30.4644  -12.2702
            12  C1z C    28.2282  -17.1760
            13  C2x C    30.1778  -18.7242
            14  C1a C    27.1069  -14.6531
            15  C1b C    31.6687  -11.5758
            16  O6a O    29.2668  -11.5758
            17  C1y C    27.1451  -18.0361
            18  O1a O    26.8648  -15.8699
            19  C2y C    29.5788  -19.9795
            20  C1b C    32.8663  -12.2702
            21  C1z C    27.1514  -19.4252
            22  C2x C    25.8200  -17.6221
            23  C1x C    28.2282  -20.2915
            24  C1b C    30.4454  -21.0626
            25  C1a C    34.0642  -11.5758
            26  C5x C    25.8325  -19.8647
            27  O1a O    27.1514  -20.8141
            28  C2y C    25.0172  -18.7369
            29  O1a O    29.9421  -22.3559
            30  O5x O    25.3995  -21.1836
            31  C1a C    23.6281  -18.7369
BOND        34
            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
            8     4   9 1
            9     4  10 1 #Up
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    9  14 1 #Down
            14   11  15 1
            15   11  16 2
            16   12  17 1
            17   12  18 1 #Down
            18   13  19 2
            19   15  20 1
            20   17  21 1
            21   17  22 1
            22   19  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 2
            28   24  29 1
            29   26  30 2
            30   28  31 1
            31    2   3 1
            32    9  12 1
            33   21  23 1
            34   26  28 1

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