KEGG   COMPOUND: C08276
Entry
C08276                      Compound                               

Name
3-(Methylthio)propanoate;
3-(Methylthio)propionic acid;
3-Methylthiopropionate;
3-(Methylsulfanyl)propanoate
Formula
C4H8O2S
Exact mass
120.0245
Mol weight
120.1701
Structure
Reaction
Pathway
map00270  Cysteine and methionine metabolism
map00920  Sulfur metabolism
map01100  Metabolic pathways
Enzyme
1.13.11.53      2.1.1.269       6.2.1.44
Other DBs
CAS: 646-01-5
PubChem: 10474
ChEBI: 1438
ChEMBL: CHEMBL116212
KNApSAcK: C00001194
PDB-CCD: A8C[PDBj]
3DMET: B02154
NIKKAJI: J22.485E
KCF data

ATOM        7
            1   C1b C    25.9050  -21.6025
            2   C6a C    24.6943  -20.9006
            3   C1b C    27.1155  -20.9006
            4   O6a O    23.4777  -21.6025
            5   O6a O    24.6943  -19.5027
            6   S2a S    28.3262  -21.6025
            7   C1a C    29.5369  -20.9006
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     6   7 1

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