LMFA01150074
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0  0  0  0  0  0  0  0999 V2000
   16.0411   -1.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9030   -1.1639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0411   -2.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1729   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3043   -1.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4357   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5671   -1.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6985   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8299   -1.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9613   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0927   -1.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2241   -1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3555   -1.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4420   -1.2547    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7728   -1.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2728   -2.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2510   -2.6559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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 17  2  0     0  0
 17 16  1  0     0  0
 16 15  2  0     0  0
 15 14  1  0     0  0
 14 13  1  0     0  0
M  END
> <LM_ID>
LMFA01150074

> <COMMON_NAME>
Sarcothiazic acid

> <SYSTEMATIC_NAME>
10-(1,3-thiazol-2-yl)decanoic acid

> <FORMULA>
C13H21NO2S

> <MASS>
255.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AVTPHFAHOHFZTM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H21NO2S/c15-13(16)9-7-5-3-1-2-4-6-8-12-14-10-11-17-12/h10-11H,1-9H2,(H,15,16)

> <SMILES>
C(CCCCCCCCCC1SC=CN=1)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
149714142

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1088795

> <CITATION>
42046895

$$$$