KEGG   COMPOUND: C11227
Entry
C11227                      Compound                               
Name
Ethionine
Formula
C6H13NO2S
Exact mass
163.0667
Mol weight
163.2379
Structure
Other DBs
CAS: 13073-35-3
PubChem: 13406
ChEBI: 4886
PDB-CCD: ESC[PDBj]
NIKKAJI: J9.260F
KCF data

ATOM        10
            1   C1a C    30.6974  -20.2718
            2   C1b C    29.4851  -20.9695
            3   S2a S    28.2729  -20.2647
            4   C1b C    27.0608  -20.9624
            5   C1b C    25.8557  -20.2577
            6   C1c C    24.6434  -20.9555
            7   C6a C    23.4312  -20.2506
            8   O6a O    22.2191  -20.9484
            9   O6a O    23.4383  -18.8483
            10  N1a N    24.6505  -22.3580
BOND        9
            1     1   2 1
            2     6   7 1
            3     3   4 1
            4     7   8 1
            5     7   9 2
            6     4   5 1
            7     6  10 1 #Down
            8     2   3 1
            9     5   6 1

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Chemical substance (13)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   MASSBANK (8)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (13)   

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