KEGG   COMPOUND: C01892
Entry
C01892                      Compound                               
Name
Asparagusate;
Asparagusic acid;
1,2-Dithiolane-4-carboxylate
Formula
C4H6O2S2
Exact mass
149.9809
Mol weight
150.22
Structure
Reaction
R03761
Enzyme
1.8.1.11
Other DBs
CAS: 2224-02-4
PubChem: 5005
ChEBI: 18091
KNApSAcK: C00000304
NIKKAJI: J13.270E
LinkDB
KCF data

ATOM        8
            1   C1y C    22.2979  -16.3479
            2   C6a C    21.3458  -15.3251
            3   C1x C    23.6873  -16.1742
            4   C1x C    22.0276  -17.7115
            5   O6a O    21.7640  -13.9871
            6   O6a O    19.9885  -15.6402
            7   S3x S    24.2790  -17.4543
            8   S3x S    23.2435  -18.4062
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     7   8 1

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