KEGG   COMPOUND: C01180
Entry
C01180                      Compound                               

Name
4-Methylthio-2-oxobutanoic acid;
4-Methylthio-2-oxobutanoate;
4-(Methylsulfanyl)-2-oxobutanoate;
2-Keto-4-methylthiobutyric acid;
2-Oxo-4-methylthiobutanoate;
2-Oxo-4-methylthiobutanoic acid
Formula
C5H8O3S
Exact mass
148.0194
Mol weight
148.1802
Structure
Reaction
Pathway
map00270  Cysteine and methionine metabolism
map00470  D-Amino acid metabolism
map00966  Glucosinolate biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Module
M00034  Methionine salvage pathway
Enzyme
1.4.3.2         1.13.11.54      2.3.3.17        2.6.1.5         
2.6.1.41        2.6.1.57        2.6.1.73        2.6.1.88        
2.6.1.117       2.6.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C01180  2-Oxo-4-methylthiobutanoic acid
Other DBs
CAS: 583-92-6
PubChem: 4407
ChEBI: 16723 33574
ChEMBL: CHEMBL1233860
LIPIDMAPS: LMFA01060170
KNApSAcK: C00007474
PDB-CCD: KMT[PDBj]
3DMET: B00255
NIKKAJI: J39.561G
LinkDB
KCF data

ATOM        9
            1   C5a C    25.2000  -20.9300
            2   C6a C    24.0100  -20.3000
            3   C1b C    26.4600  -20.3000
            4   O5a O    25.2000  -22.3300
            5   O6a O    22.8200  -20.9300
            6   O6a O    24.0100  -18.8300
            7   C1b C    27.6500  -20.9300
            8   S2a S    28.8400  -20.3000
            9   C1a C    30.1000  -20.9300
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     7   8 1
            8     8   9 1

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