KEGG   COMPOUND: C11497Help
Entry
C11497                      Compound                               

Name
2-Oxopropyl-CoM;
2-(2-Oxopropylthio)ethanesulfonate
Formula
C5H10O4S2
Exact mass
198.0021
Mol weight
198.2605
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
1.1.1.268       1.1.1.269       1.8.1.5
Other DBs
PubChem: 13667
ChEBI: 15881
PDB-CCD: KPC[PDBj]
NIKKAJI: J1.339.712K
KCF data Show

ATOM        11
            1   C1b C    26.4216  -19.5568
            2   C1b C    27.6348  -20.2479
            3   S2a S    28.8480  -19.5497
            4   C1b C    30.0541  -20.2408
            5   C5a C    31.2672  -19.5426
            6   C1a C    32.4804  -20.2339
            7   S4a S    25.0181  -19.5568
            8   O5a O    31.2602  -18.1391
            9   O1d O    25.0110  -18.1531
            10  O1d O    23.6145  -19.5497
            11  O1d O    25.0110  -20.9603
BOND        10
            1     5   6 1
            2     1   2 1
            3     1   7 1
            4     3   4 1
            5     5   8 2
            6     7   9 2
            7     4   5 1
            8     7  10 2
            9     2   3 1
            10    7  11 1

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