LMFA07070108
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0  0  0  0            999 V2000
   -1.2375   -1.0164    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626   -1.0164    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0626   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
  5 17  2  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
> <LM_ID>
LMFA07070108

> <COMMON_NAME>
Tiglylcarnitine

> <SYSTEMATIC_NAME>
3-{[(2E)-2-methylbut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C12H21NO4

> <MASS>
243.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WURBQCVBQNMUQT-RMKNXTFCSA-N

> <INCHI>
InChI=1S/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB02366

> <CHEBI_ID>
71179

> <ABBREVIATION>
CAR 5:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22833596

> <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]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$