LMFA01060170
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.8630    5.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5805    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1490    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8630    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2911    5.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5805    7.0666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4316    5.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7175    6.2358    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01060170

> <COMMON_NAME>
2-oxo-4-methylthio-butanoic acid

> <SYSTEMATIC_NAME>
2-oxo-4-methylthio-butanoic acid

> <FORMULA>
C5H8O3S

> <MASS>
148.02

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-Methylthio-2-oxobutanoic acid

> <INCHI_KEY>
SXFSQZDSUWACKX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)

> <SMILES>
C(=O)(CCSC)C(=O)O

> <KEGG_ID>
C01180

> <HMDB_ID>
HMDB0001553

> <CHEBI_ID>
33574

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
473

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Thia fatty acids [FA0113]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$