KEGG   COMPOUND: C19998Help
Entry
C19998                      Compound                               

Name
Anatoxin a(s);
Anatoxin-A(S);
Phosphoric acid, mono[(5S)-2-amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl] monomethyl ester
Formula
C7H17N4O4P
Exact mass
252.0987
Mol weight
252.208
Structure
Mol fileKCF fileDB search
Brite
Natural toxins [BR:br08009]
 Cyanotoxins
  Alkaloids
   Anatoxins
    C19998  Anatoxin a(s)
Target-based classification of compounds [BR:br08010]
 Enzymes
  Hydrolases
   ACHE; acetylcholinesterase
    C19998  Anatoxin a(s)
BRITE hierarchy
Other DBs
CAS: 103170-78-1
PubChem: 135626464
LinkDB All DBs
KCF data Show

ATOM        16
            1   C2y C    18.5327  -20.8075
            2   N2x N    18.9783  -22.1347
            3   C1x C    20.3783  -22.1210
            4   C1y C    20.7979  -20.7853
            5   N1y N    19.6573  -19.9735
            6   C1b C    22.0024  -20.0900
            7   N1c N    23.2149  -20.7900
            8   N1a N    17.2080  -20.3911
            9   O2b O    19.6573  -18.5735
            10  P1b P    20.8895  -17.8624
            11  O2b O    22.0743  -18.5468
            12  C1a C    23.2867  -17.8468
            13  O1c O    20.1195  -16.5800
            14  O1c O    21.6595  -16.5100
            15  C1a C    24.4460  -20.0790
            16  C1a C    23.2150  -22.1898
BOND        16
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 1 #Up
            7     6   7 1
            8     1   8 1
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   10  13 2
            14   10  14 1
            15    7  15 1
            16    7  16 1

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