KEGG   COMPOUND: C03537
Entry
C03537                      Compound                               

Name
S-Acetylthioethanolamine
Formula
C4H9NOS
Exact mass
119.0405
Mol weight
119.1854
Structure
Reaction
Enzyme
Other DBs
PubChem: 6342
ChEBI: 17853
ChEMBL: CHEMBL1190273
3DMET: B00596
NIKKAJI: J1.305.333B
KCF data

ATOM        7
            1   S2a S    25.9024  -17.0487
            2   C5a C    24.6922  -16.3470
            3   C1b C    27.1126  -16.3470
            4   O5a O    24.6922  -14.9503
            5   C1a C    23.4820  -17.0550
            6   C1b C    28.3292  -17.0487
            7   N1a N    29.5394  -16.3470
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     6   7 1

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