LMFA07070035
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0            999 V2000
    8.8772   -4.8545    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8733   -5.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5944   -4.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1635   -4.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5866   -6.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5951   -3.6213    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.4500   -4.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3041   -5.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5866   -6.9165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4462   -5.6735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7367   -4.4335    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.0175   -6.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7310   -5.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4444   -6.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1581   -5.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8676   -6.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5812   -5.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3099   -3.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8810   -3.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5951   -2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  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
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
M  CHG  2   6   1  11  -1
M  END
> <LM_ID>
LMFA07070035

> <COMMON_NAME>
2-octenoyl-L-carnitine

> <SYSTEMATIC_NAME>
(3S)-3-[(2E)-oct-2-enoyloxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C15H27NO4

> <MASS>
285.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(3S)-3-[(2E)-oct-2-enoyloxy]-4-(trimethylammonio)butanoate;(E)-2-octenoyl-L-carnitine;2-octenoylcarnitine

> <INCHI_KEY>
LOSHAHDSFZXVCT-LXKVQUBZSA-N

> <INCHI>
InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1

> <SMILES>
[C@H](CC([O-])=O)(C[N+](C)(C)C)OC(=O)/C=C/CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
71012

> <ABBREVIATION>
CAR 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
70679121

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$