KEGG   COMPOUND: C09421
Entry
C09421                      Compound                               
Name
Emetine
Formula
C29H40N2O4
Exact mass
480.2988
Mol weight
480.64
Structure
Remark
ATC code: P01AX02
Drug group: DG01011
Reaction
R11686
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.396
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09421  Emetine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
    P01AX Other agents against amoebiasis and other protozoal diseases
     P01AX02 Emetine
      C09421  Emetine
Other DBs
CAS: 483-18-1
PubChem: 11612
ChEBI: 4781
KNApSAcK: C00001849
PDB-CCD: YAT[PDBj]
NIKKAJI: J9.377G
LinkDB
KCF data

ATOM        35
            1   C1y C    28.6359  -15.6767
            2   C8y C    27.4284  -14.9827
            3   N1y N    29.8551  -14.9944
            4   C1x C    28.6242  -17.0768
            5   C8y C    27.4342  -13.5828
            6   C8x C    26.2268  -15.6826
            7   C1x C    31.0567  -15.7001
            8   C1x C    29.8609  -13.5945
            9   C1y C    29.8318  -17.7825
            10  C8x C    26.2268  -12.8770
            11  C1x C    28.6475  -12.8829
            12  C8y C    25.0078  -14.9827
            13  C1y C    31.1150  -17.1001
            14  C8y C    25.0078  -13.5828
            15  O2a O    23.7945  -15.6826
            16  C1b C    32.2522  -17.7942
            17  O2a O    23.7945  -12.8770
            18  C1a C    22.5753  -14.9827
            19  C1a C    33.4656  -17.0825
            20  C1a C    22.5812  -13.5769
            21  C1b C    29.8201  -19.1884
            22  C1y C    28.5308  -19.8767
            23  C8y C    28.5775  -21.2765
            24  N1x N    27.4051  -19.1591
            25  C8y C    27.2885  -21.9531
            26  C8x C    29.7734  -22.0056
            27  C1x C    26.1743  -19.8358
            28  C8x C    27.3177  -23.3471
            29  C1x C    26.1627  -21.2356
            30  C8y C    29.7384  -23.4055
            31  C8y C    28.5135  -24.0705
            32  O2a O    30.9458  -24.1172
            33  O2a O    28.5075  -25.4704
            34  C1a C    27.2738  -26.1780
            35  C1a C    30.9458  -25.5166
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   10  14 2
            14   12  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20    8  11 1
            21    9  13 1
            22   12  14 1
            23   21  22 1
            24   22  23 1
            25   22  24 1
            26   23  25 2
            27   23  26 1
            28   24  27 1
            29   25  28 1
            30   25  29 1
            31   26  30 2
            32   28  31 2
            33   30  32 1
            34   31  33 1
            35   27  29 1
            36   30  31 1
            37   33  34 1
            38    9  21 1 #Up
            39   32  35 1

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