KEGG   COMPOUND: C09421Help
Entry
C09421                      Compound                               

Name
Emetine
Formula
C29H40N2O4
Exact mass
480.2988
Mol weight
480.6389
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Isoquinoline alkaloids
Source: Cephaelis ipecacuanha [TAX:77880]
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Brite
Compounds with biological roles [BR:br08001]
 Phytochemical compounds
  Alkaloids
   C09421  Emetine
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09421  Emetine
BRITE hierarchy
Other DBs
CAS: 
483-18-1
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

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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