COMPOUND: C09955


Entry
C09955                      Compound                               
Name
Ochratoxin A
Formula
C20H18ClNO6
Exact mass
403.0823
Mol weight
403.813
Structure
Pathway
map04976  Bile secretion
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Others
    C09955  Ochratoxin A
Other DBs
CAS: 303-47-9
PubChem: 12141
ChEBI: 7719
KNApSAcK: C00003008
PDB-CCD: 97U[PDBj]
NIKKAJI: J1.519I
KCF data

ATOM        28
            1   C8y C    29.2647  -14.7808
            2   C8y C    29.2764  -16.1803
            3   C8y C    28.0520  -14.0870
            4   C1x C    30.4658  -14.0754
            5   C8y C    28.0636  -16.8859
            6   C7x C    30.4951  -16.8683
            7   C8x C    26.8449  -14.7868
            8   X   Cl   28.0460  -12.6818
            9   C1y C    31.6845  -14.7575
            10  C8y C    26.7866  -16.1920
            11  O1a O    28.0753  -18.2911
            12  O7x O    31.6962  -16.1512
            13  O6a O    30.5067  -18.2678
            14  C1a C    32.8915  -14.0461
            15  C5a C    25.6437  -16.8859
            16  N1b N    24.4309  -16.1803
            17  O5a O    25.6379  -18.2911
            18  C1c C    23.2180  -16.8800
            19  C1b C    22.0109  -16.1745
            20  C6a C    23.2122  -18.2852
            21  C8y C    20.7982  -16.8743
            22  O6a O    21.9935  -18.9733
            23  O6a O    24.4250  -18.9849
            24  C8x C    19.5912  -16.1686
            25  C8x C    20.7982  -18.2737
            26  C8x C    18.3725  -16.8743
            27  C8x C    19.5912  -18.9733
            28  C8x C    18.3725  -18.2737
BOND        30
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    9  14 1 #Up
            14   10  15 1
            15   15  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1 #Down
            20   19  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   21  25 2
            25   24  26 2
            26   25  27 1
            27   26  28 1
            28    7  10 1
            29    9  12 1
            30   27  28 2

» Japanese version

  All links  
Pathway (1)   
   KEGG PATHWAY (1)   
Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (8)   

Download RDF