LMFA07070031
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0            999 V2000
   13.2873   -4.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6998   -3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5248   -3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9373   -4.1504    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.6998   -4.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9373   -2.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4623   -4.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0498   -3.4360    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.7643   -3.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3353   -3.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6373   -2.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0498   -6.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4623   -5.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2873   -5.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6998   -6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2248   -6.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8123   -7.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9873   -7.0083    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  0  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
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <LM_ID>
LMFA07070031

> <COMMON_NAME>
2-Hexenoylcarnitine

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

> <FORMULA>
C13H23NO4

> <MASS>
257.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JUAQYRSUSCWTQK-BQYQJAHWSA-N

> <INCHI>
InChI=1S/C13H23NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3/b8-7+

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0013161

> <CHEBI_ID>
88762

> <ABBREVIATION>
CAR 6:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53481638

> <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>
-

$$$$