LMFA08030024
  LIPID_MAPS_STRUCTURE_DATABASE

 20 20  0     0  0            999 V2000
    4.9287    0.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7433   -0.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5545    0.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2426    1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2374    1.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5524   -0.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277    0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037   -0.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1785    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0592   -0.2575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7493   -1.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1728    1.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3151    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1843   -0.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0518    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9192   -0.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7868    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6543   -0.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5218    0.2227    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  2  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
  8  7  1  0     0  0
  6 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
M  END
> <LM_ID>
LMFA08030024

> <COMMON_NAME>
N-(3E,5Z-dodecadienoyl)-homoserine lactone

> <SYSTEMATIC_NAME>
N-((3E,5Z)-3,5-dodecadienoyl)homoserine lactone

> <FORMULA>
C16H25NO3

> <MASS>
279.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
Fatty acyl homoserine lactones [FA0803]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C12:2-HSL; 3E,5Z-C12:2-HSL

> <INCHI_KEY>
SKZMECPHGLDCRH-HGXHHBJQSA-N

> <INCHI>
InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h7-10,14H,2-6,11-13H2,1H3,(H,17,18)/b8-7-,10-9+/t14-/m0/s1

> <SMILES>
[C@@H]1(CCOC1=O)NC(=O)C/C=C/C=C\CCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
146682876

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2433

> <CITATION>
30602652

$$$$