LMFA08020239
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0     0  0            999 V2000
    1.8124    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6274   -0.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4389    0.2509    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270    1.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1213    1.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -0.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901    0.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0616    0.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9426   -0.2577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6335   -1.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557    1.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4389    0.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901    1.2284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3049   -0.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1709    0.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0369   -0.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  4  5  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  1 10  1  1     0  0
  5  1  1  0     0  0
  2 11  2  0     0  0
  9 12  2  0     0  0
  6 13  1  0     0  0
  7 14  2  0     0  0
 15 13  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
M  END
> <LM_ID>
LMFA08020239

> <COMMON_NAME>
N-(3-oxo-octanoyl)-homoserine thiolactone

> <SYSTEMATIC_NAME>
N-(3-oxo-octanoyl)-homoserine thiolactone

> <FORMULA>
C12H19NO3S

> <MASS>
257.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3O-C8-HTL

> <INCHI_KEY>
JNXSGGJSWVMKAD-JTQLQIEISA-N

> <INCHI>
InChI=1S/C12H19NO3S/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1

> <SMILES>
[C@@H]1(CCSC1=O)NC(=O)CC(=O)CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53484106

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
17085703

$$$$