KEGG   COMPOUND: C01961
Entry
C01961                      Compound                               
Name
Thalassemine;
L-Thalassemine
Formula
C8H19N4O6P
Exact mass
298.1042
Mol weight
298.2334
Structure
Other DBs
CAS: 40524-74-1
PubChem: 5062
ChEBI: 9508
NIKKAJI: J17.833K
LinkDB
KCF data

ATOM        19
            1   P1b P    23.1000  -20.0900
            2   O2b O    24.5000  -20.0900
            3   O2b O    21.7000  -20.0900
            4   O1c O    23.1000  -18.6900
            5   O1c O    23.1000  -21.4900
            6   C1b C    25.7124  -20.7900
            7   C1c C    26.9249  -20.0900
            8   C6a C    28.1373  -20.7900
            9   O6a O    29.3497  -20.0900
            10  C1b C    20.4876  -20.7900
            11  C1b C    19.2751  -20.0900
            12  N1b N    18.0627  -20.7900
            13  C2c C    16.8503  -20.0900
            14  N1c N    26.9249  -18.6902
            15  O6a O    28.1373  -22.1900
            16  N1a N    15.6527  -20.7815
            17  N2a N    16.8502  -18.6901
            18  C1a C    28.1561  -17.9792
            19  C1a C    25.7313  -18.0010
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     3  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    7  14 1 #Down
            14    8  15 2
            15   13  16 1
            16   13  17 2
            17   14  18 1
            18   14  19 1

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