KEGG   COMPOUND: C23002
Entry
C23002                      Compound                               
Name
3-Dimethylsulfoniopropionaldehyde;
3-Dimethylsulfoniopropanal;
DMSP-aldehyde
Formula
C5H11OS
Exact mass
119.0531
Mol weight
119.21
Structure
Reaction
R13450 R13451
Pathway
map00920  Sulfur metabolism
map01120  Microbial metabolism in diverse environments
Other DBs
PubChem: 505120110
LinkDB
KCF data

ATOM        7
            1   C4a C    20.4503  -17.0303
            2   C1b C    19.1939  -16.3323
            3   C1b C    18.0074  -17.0303
            4   S0  S    16.7511  -16.3323 #+
            5   C1a C    15.5646  -17.0303
            6   C1a C    16.7511  -14.9364
            7   O4a O    21.6368  -16.3323
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 1
            6     1   7 2

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