LMFA08030019
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    8.3218    0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1330   -0.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9408    0.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6303    1.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6293    1.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638   -0.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8354    0.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7077   -0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5790    0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4560   -0.2565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391   -1.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5732    1.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0947    0.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258   -0.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3567    0.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4876   -0.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3814    0.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814    0.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2475   -0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1135    0.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9795   -0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8455    0.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7116   -0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5776    0.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8354    1.2273    0.0000 O   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
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  7 25  2  0     0  0
M  END
> <LM_ID>
LMFA08030019

> <COMMON_NAME>
N-(3-oxo-9Z-hexadecenoyl)-homoserine lactone

> <SYSTEMATIC_NAME>
N-(3-oxo-9Z-hexadecenoyl)-homoserine lactone

> <FORMULA>
C20H33NO4

> <MASS>
351.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
Fatty acyl homoserine lactones [FA0803]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3O-C16:1-HSL

> <INCHI_KEY>
NNIVINPZTHXZNK-ZEVQVBBLSA-N

> <INCHI>
InChI=1S/C20H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16-19(23)21-18-14-15-25-20(18)24/h7-8,18H,2-6,9-16H2,1H3,(H,21,23)/b8-7-/t18-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185542

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71684661

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
382

> <CITATION>
12270827

$$$$