LMFA01130006
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    7.8579    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4125    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
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA01130006

> <COMMON_NAME>
3-methyl-thiopropionic acid

> <SYSTEMATIC_NAME>
3-(methyl-sulfanyl)-propanoic acid

> <FORMULA>
C4H8O2S

> <MASS>
120.02

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Thia fatty acids [FA0113]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CAOMCZAIALVUPA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)

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

> <KEGG_ID>
C08276

> <HMDB_ID>
HMDB0001527

> <CHEBI_ID>
1438

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
563

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$