KEGG   COMPOUND: C03829
Entry
C03829                      Compound                               

Name
2S,5S-Methionine sulfoximine;
(R-(R*,S*))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide
Formula
C5H12N2O3S
Exact mass
180.0569
Mol weight
180.2254
Structure
Other DBs
CAS: 21752-31-8
PubChem: 6572
ChEBI: 28227 28490
ChEMBL: CHEMBL143324
NIKKAJI: J225.433F
KCF data

ATOM        11
            1   S4a S    18.4100  -15.1200
            2   C1b C    19.6224  -15.8200
            3   C1b C    20.8349  -15.1200
            4   C1c C    22.0473  -15.8200
            5   C6a C    23.2597  -15.1200
            6   O6a O    24.4722  -15.8200
            7   O6a O    23.2597  -13.7201
            8   N1a N    22.0473  -17.2200
            9   N2a N    18.4100  -13.4400
            10  O3c O    16.9176  -15.9600
            11  C1a C    17.1976  -14.4200
BOND        10
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     5   7 2
            7     4   8 1 #Up
            8     1   9 2
            9     1  10 2
            10    1  11 1 #Down

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