Marvin  05131316272D          

 24 23  0  0  0  0            999 V2000
   13.9129   -8.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6274   -7.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9129  -10.9885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1984   -9.7510    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.0564   -8.9259    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6274   -8.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3418   -8.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6260   -7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3406   -7.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9116   -7.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0551   -7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1972   -7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7695   -7.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4828   -7.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4840   -7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7682   -7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1984   -7.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6274   -9.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7708   -9.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0537   -7.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9129   -7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9129  -10.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7709   -8.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0564   -9.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1 21  1  0  0  0  0
  2 21  2  0  0  0  0
  3 22  2  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
M  CHG  2   4  -1   5   1
M  END
> <ID>
CHEBI:73054

> <NAME>
O-dodecanoylcarnitine

> <DEFINITION>
An O-acylcarnitine having dodecanoyl as the acyl substituent.

> <STAR>
3

> <SYNONYM>
O-lauroylcarnitine; lauroylcarnitine; dodecanoylcarnitine; 3-(dodecanoyloxy)-4-(trimethylammonio)butanoate

> <IUPAC_NAME>
3-(dodecanoyloxy)-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C19H37NO4

> <MASS>
343.50140

> <MONOISOTOPIC_MASS>
343.27226

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3

> <INCHIKEY>
FUJLYHJROOYKRA-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
4147608

> <PUBMED_CITATION>
23315938

$$$$