COMPOUND: C19998
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Entry
C19998 Compound
Name
Anatoxin a(s);
Anatoxin-A(S);
Guanitoxin;
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 file
KCF file
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Brite
Natural toxins [BR:
br08009
]
Cyanotoxins
Alkaloids
Anatoxins
C19998 Anatoxin a(s)
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Other DBs
CAS:
103170-78-1
PubChem:
135626464
ChEBI:
188038
KCF data
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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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Chemical substance (2)
PubChem (1)
ChEBI (1)
All databases (2)
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