LMFA07070053
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0  0  0  0            999 V2000
   12.1248   -8.8199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8392   -8.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5537   -8.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5537   -9.6448    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1248   -9.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2682   -8.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4103   -8.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4103   -7.5824    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.2353   -7.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5853   -7.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4103   -6.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702  -11.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8839  -10.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7111  -10.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1248  -11.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4060  -11.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  1  5  1  6  0  0  0
  3  6  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  5 14  1  0  0  0  0
 15 14  2  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <LM_ID>
LMFA07070053

> <COMMON_NAME>
Butenylcarnitine

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

> <FORMULA>
C11H19NO4

> <MASS>
229.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HQDBMDGXEZLSNK-CYNONHLPSA-N

> <INCHI>
InChI=1S/C11H19NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+/t9-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0013126

> <CHEBI_ID>
88785

> <ABBREVIATION>
CAR 4:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53481615

> <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>
-

$$$$