KEGG   COMPOUND: C04543
Entry
C04543                      Compound                               
Name
Buthionine sulfoximine;
S-Butyl-DL-homocysteine-[S,R]-sulfoximine
Formula
C8H18N2O3S
Exact mass
222.1038
Mol weight
222.31
Structure
Other DBs
CAS: 5072-26-4
PubChem: 7149
ChEBI: 28714
J-GLOBAL: J128.583A
LinkDB
KCF data

ATOM        14
            1   S4a S    24.1500  -14.1400
            2   C1b C    25.3400  -14.8400
            3   C1b C    22.9600  -14.8400
            4   N2a N    24.1500  -15.7500
            5   O3c O    24.1500  -12.7400
            6   C1b C    26.5300  -14.1400
            7   C1b C    21.7700  -14.1400
            8   C1c C    27.7200  -14.8400
            9   C1b C    20.5800  -14.8400
            10  C6a C    28.9100  -14.1400
            11  C1a C    19.3900  -14.1400
            12  N1a N    27.7200  -16.2400
            13  O6a O    30.1000  -14.8400
            14  O6a O    28.9100  -12.7400
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     2   6 1
            6     3   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11    8  12 1
            12   10  13 1
            13   10  14 2

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