LMFA01130002
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   18.0215    5.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7393    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0215    6.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2983    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5749    5.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8515    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1280    5.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4046    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6812    5.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9577    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2343    5.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5109    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7874    5.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0640    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3406    5.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6172    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8937    5.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1703    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4469    5.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7234    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4147    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA01130002

> <COMMON_NAME>
2-mercapto-octadecanoic acid

> <SYSTEMATIC_NAME>
2-mercapto-octadecanoic acid

> <FORMULA>
C18H36O2S

> <MASS>
316.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Thia fatty acids [FA0113]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Octadecanoic acid, 2-mercapto-; alpha-Mercaptostearic acid

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
169800

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312337

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
5098

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMFA01130002

$$$$