LMFA07010938
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0            999 V2000
    1.4433   -1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    0.8246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0409   -1.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -0.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4433   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010938

> <COMMON_NAME>
Methyl 2-(methylthio)butyrate

> <SYSTEMATIC_NAME>
methyl 2-(methylsulfanyl)butanoate

> <FORMULA>
C6H12O2S

> <MASS>
148.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PBYSEUNXLXTEAN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H12O2S/c1-4-5(9-3)6(7)8-2/h5H,4H2,1-3H3

> <SMILES>
CCC(C(OC)=O)SC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0041306

> <CHEBI_ID>
165635

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
560572

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$