KEGG   COMPOUND: C05640Help
Entry
C05640                      Compound                               

Name
Cinnavalininate;
Cinnabarinic acid
Formula
C14H8N2O6
Exact mass
300.0382
Mol weight
300.2231
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Tryptophan metabolism
Enzyme
1.11.1.6        1.11.1.21
Other DBs
CAS: 
606-59-7
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    28.7778  -19.3745
            2   C8y C    28.7710  -20.7698
            3   C8y C    29.9923  -18.6820
            4   N5x N    27.5668  -18.6683
            5   O2x O    27.5565  -21.4692
            6   C8x C    29.9753  -21.4760
            7   C8y C    31.1966  -19.3847
            8   C6a C    29.9855  -17.2764
            9   C8y C    26.3488  -19.3642
            10  C8y C    26.3454  -20.7630
            11  C8y C    31.1898  -20.7834
            12  N1a N    32.4077  -18.6785
            13  O6a O    31.2000  -16.5702
            14  O6a O    28.7676  -16.5804
            15  C8y C    25.1377  -18.6615
            16  C8x C    25.1377  -21.4657
            17  O5x O    32.4009  -21.4828
            18  C8x C    23.9267  -19.3642
            19  C6a C    25.1309  -17.2593
            20  C8x C    23.9267  -20.7630
            21  O6a O    26.3386  -16.5531
            22  O6a O    23.9130  -16.5667
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    8  14 2
            14    9  15 2
            15   10  16 2
            16   11  17 2
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   19  22 2
            22    7  11 1
            23    9  10 1
            24   18  20 2

» Japanese version

DBGET integrated database retrieval system