KEGG   COMPOUND: C13732Help
Entry
C13732                      Compound                               

Name
Domoic acid
Formula
C15H21NO6
Exact mass
311.1369
Mol weight
311.3303
Structure
Mol fileKCF fileDB search
Brite
Natural toxins [BR:br08009]
 Marine biotoxins
  Amnesic Shellfish Poisoning; ASP
   Kainoids
    C13732  Domoic acid
BRITE hierarchy
Other DBs
CAS: 14277-97-5
PubChem: 586321
ChEBI: 34727
ChEMBL: CHEMBL1232313
KNApSAcK: C00034487
PDB-CCD: DOQ[PDBj]
NIKKAJI: J21.406J
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    26.9101  -20.3010
            2   C1x C    27.3460  -18.9698
            3   N1x N    26.2099  -18.1437
            4   C1y C    25.0739  -18.9698
            5   C1y C    25.5097  -20.3010
            6   C1b C    24.6878  -21.4347
            7   C2c C    27.7306  -21.4358
            8   C1a C    27.0448  -22.6569
            9   C2b C    29.1309  -21.4190
            10  C2b C    29.6138  -20.0936
            11  C2b C    30.9931  -20.0611
            12  C1c C    31.4725  -18.5354
            13  C6a C    32.8519  -18.2927
            14  O6a O    33.3314  -16.9770
            15  O6a O    33.7515  -19.3658
            16  C1a C    30.5729  -17.4622
            17  C6a C    23.8476  -18.2700
            18  O6a O    22.6351  -18.9700
            19  O6a O    23.8440  -16.8702
            20  C6a C    23.2878  -21.4347
            21  O6a O    22.5871  -20.2211
            22  O6a O    22.5999  -22.6266
BOND        22
            1     5   6 1 #Down
            2     1   2 1
            3     7   8 1
            4     1   7 1 #Down
            5     7   9 2
            6     2   3 1
            7     9  10 1
            8    10  11 2
            9     3   4 1
            10   11  12 1
            11   12  13 1
            12    4   5 1
            13   13  14 2
            14   13  15 1
            15    5   1 1
            16   12  16 1 #Up
            17    4  17 1 #Up
            18   17  18 1
            19   17  19 2
            20    6  20 1
            21   20  21 2
            22   20  22 1

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