KEGG   COMPOUND: C08276Help
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
Mol fileKCF fileDB search
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 Show

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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