LMFA07070030
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0  0  0  0            999 V2000
   23.0500  -10.2782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3354   -9.0408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0500  -12.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7645  -11.5160    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   20.9065  -10.6907    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.3354  -10.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6211  -10.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4790   -9.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7645   -9.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3354  -11.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1920  -11.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1934   -9.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0500   -9.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0500  -11.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1920  -10.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9065  -11.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7644   -8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  9 17  2  0  0  0  0
M  CHG  2   4  -1   5   1
M  END
> <LM_ID>
LMFA07070030

> <COMMON_NAME>
2-ethylacryloylcarnitine

> <SYSTEMATIC_NAME>
3-[(2-methylidenebutanoyl)oxy]-4-(trimethylammonio)butanoate

> <FORMULA>
C12H21NO4

> <MASS>
243.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-ethylacrylylcarnitine

> <INCHI_KEY>
AUFJTEGVQXGXTG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h10H,2,6-8H2,1,3-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
71180

> <ABBREVIATION>
CAR 5:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71306333

> <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>
-

$$$$