KEGG   COMPOUND: C16759
Entry
C16759                      Compound                               
Name
S-Allyl-L-cysteine
Formula
C6H11NO2S
Exact mass
161.051
Mol weight
161.222
Structure
Other DBs
CAS: 21593-77-1
PubChem: 96023283
ChEBI: 74077
KNApSAcK: C00037771
PDB-CCD: I3L[PDBj]
NIKKAJI: J490.173H
LinkDB
KCF data

ATOM        10
            1   C2a C    13.8600  -17.6400
            2   C2b C    15.0724  -16.9400
            3   C1b C    16.2849  -17.6400
            4   S2a S    17.4973  -16.9400
            5   C1b C    18.7097  -17.6400
            6   C1c C    19.9222  -16.9400
            7   C6a C    21.1346  -17.6400
            8   O6a O    22.3511  -16.9377
            9   O6a O    21.1346  -19.0400
            10  N1a N    19.9222  -15.5403
BOND        9
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 2
            9     6  10 1 #Down

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