KEGG   COMPOUND: C01576Help
Entry
C01576                      Compound                               
Name
Etoposide;
VP-16
Formula
C29H32O13
Exact mass
588.1843
Mol weight
588.5566
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Source: Podophyllum peltatum [TAX:35933]
semisynthetic
Podophyllotoxin [CPD:C10874] derivative
IARC Group 1: Etoposide in combination with Cisplatin [CPD:C06911] and Bleomycin [CPD:C15773]
Cancer site: leukaemia and/or lymphoma
Pathway
Bile secretion
Brite
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C01576  Etoposide (in combination with cisplatin and bleomycin)
BRITE hierarchy
Other DBs
CAS: 
33419-42-0
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        42
            1   C8y C    27.7308  -19.0593
            2   C8y C    27.7308  -20.4607
            3   C8x C    28.9444  -21.1614
            4   C8y C    30.1581  -20.4607
            5   C8y C    30.1581  -19.0593
            6   C8x C    28.9444  -18.3586
            7   C1y C    31.3717  -21.1614
            8   C1y C    32.5853  -20.4607
            9   C1y C    32.5853  -19.0593
            10  C1y C    31.3717  -18.3586
            11  O2x O    26.3979  -18.6263
            12  C1x C    25.5742  -19.7600
            13  O2x O    26.3979  -20.8938
            14  C7x C    33.9181  -20.8938
            15  O7x O    34.7419  -19.7600
            16  C1x C    33.9181  -18.6263
            17  O6a O    34.3453  -22.2089
            18  C8y C    31.3717  -22.5628
            19  C8x C    30.1601  -23.2623
            20  C8y C    30.1601  -24.6637
            21  C8y C    31.3737  -25.3644
            22  C8y C    32.5853  -24.6649
            23  C8x C    32.5853  -23.2635
            24  O2a O    28.9634  -25.3548
            25  O2a O    33.7841  -25.3571
            26  C1a C    34.9736  -24.6704
            27  C1a C    27.7759  -24.6693
            28  O1a O    31.3737  -26.7670
            29  O2a O    31.3717  -16.9572
            30  C1y C    30.1601  -16.2577
            31  C1y C    30.1601  -14.8553
            32  C1y C    28.9464  -14.1546
            33  C1y C    27.7328  -14.8553
            34  C1y C    27.7328  -16.2577
            35  O2x O    28.9465  -16.9584
            36  O2x O    26.5191  -14.1546
            37  C1y C    25.3054  -14.8553
            38  O2x O    25.3054  -16.2577
            39  C1x C    26.5191  -16.9584
            40  O1a O    28.9464  -12.7532
            41  C1a C    24.0715  -14.1427
            42  O1a O    31.3910  -14.1444
BOND        48
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14   12  13 1
            15    2  13 1
            16    8  14 1
            17   14  15 1
            18   15  16 1
            19    9  16 1
            20   14  17 2
            21    7  18 1 #Down
            22   18  19 2
            23   19  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   18  23 1
            28   20  24 1
            29   22  25 1
            30   25  26 1
            31   24  27 1
            32   21  28 1
            33   10  29 1 #Up
            34   30  29 1 #Down
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   30  35 1
            41   33  36 1
            42   36  37 1
            43   37  38 1
            44   38  39 1
            45   34  39 1
            46   32  40 1 #Down
            47   37  41 1 #Up
            48   31  42 1 #Up

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