KEGG   COMPOUND: C16641Help
Entry
C16641                      Compound                               

Name
Irinotecan
Formula
C33H38N4O6
Exact mass
586.2791
Mol weight
586.678
Structure
Mol fileKCF fileDB search
Remark
Same as: D08086
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Enzyme
1.14.13.-       3.1.1.1
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinoline alkaloids
    C16641  Irinotecan
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX19 Irinotecan
      D08086  Irinotecan (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP1
     D08086  Irinotecan (INN)
Prodrugs [br08324.html]
 D08086
BRITE hierarchy
Other DBs
CAS: 97682-44-5
PubChem: 51090967
ChEBI: 80630
ChEMBL: CHEMBL481
PDB-CCD: CP0[PDBj]
NIKKAJI: J261.801J
LinkDB All DBs
KCF data Show

ATOM        43
            1   C8y C    24.2099  -19.7726
            2   C8x C    24.2099  -21.1690
            3   C8x C    25.3968  -21.8673
            4   C8y C    26.5838  -21.1690
            5   C8y C    26.5838  -19.7726
            6   C8x C    25.3968  -19.0744
            7   N5x N    27.8406  -21.8673
            8   C8y C    29.0276  -21.1690
            9   C8y C    29.0276  -19.7726
            10  C8y C    27.8406  -19.0744
            11  O7a O    22.9530  -19.0744
            12  C7a C    21.7661  -19.7726
            13  O6a O    21.7661  -21.1690
            14  N1y N    20.5791  -19.0744
            15  C1x C    20.5791  -17.6779
            16  C1x C    19.3223  -16.9797
            17  C1y C    18.1353  -17.6779
            18  C1x C    18.1353  -19.0744
            19  C1x C    19.3223  -19.7726
            20  N1y N    16.9483  -16.9797
            21  C1x C    16.9483  -15.5832
            22  C1x C    15.6915  -14.8850
            23  C1x C    14.5045  -15.5832
            24  C1x C    14.5045  -16.9797
            25  C1x C    15.6915  -17.6779
            26  C8y C    30.3543  -21.5880
            27  N4y N    31.1921  -20.4708
            28  C1x C    30.3543  -19.3537
            29  C8y C    32.5188  -20.4708
            30  C8y C    33.2170  -21.6578
            31  C8y C    32.5886  -22.8448
            32  C8x C    31.1223  -22.8448
            33  C1z C    33.2868  -24.0318
            34  C7x C    34.6833  -24.0318
            35  O7x O    35.3117  -22.8448
            36  C1x C    34.6134  -21.6578
            37  O5x O    33.2170  -19.2140
            38  O6a O    35.3815  -25.2886
            39  C1b C    27.8406  -17.6779
            40  C1a C    26.5838  -16.9797
            41  C1b C    31.8903  -24.0318
            42  O1a O    33.2868  -25.4980
            43  C1a C    31.1921  -25.2886
BOND        49
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14   12  13 2
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   17  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29    8  26 1
            30   26  27 1
            31   27  28 1
            32    9  28 1
            33   27  29 1
            34   29  30 1
            35   30  31 2
            36   31  32 1
            37   31  33 1
            38   33  34 1
            39   34  35 1
            40   35  36 1
            41   30  36 1
            42   32  26 2
            43   29  37 2
            44   34  38 2
            45   10  39 1
            46   39  40 1
            47   33  41 1 #Down
            48   33  42 1 #Up
            49   41  43 1

» Japanese version

DBGET integrated database retrieval system