Marvin  05141309422D          

 26 25  0  0  0  0            999 V2000
   13.9441   -7.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2296   -8.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6585   -5.8487    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.0875   -5.8487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3730   -8.7362    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6585   -8.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6585   -7.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3730   -7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0875   -9.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2296   -7.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5151   -7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8007   -7.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0861   -7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3717   -7.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6572   -7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3730   -6.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9428   -7.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2282   -7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5139   -7.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7993   -7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848   -7.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702   -7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6557   -7.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702   -6.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3730   -9.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0875   -8.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  3 16  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10  1  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END
> <ID>
CHEBI:73064

> <NAME>
O-(11-carboxyundecanoyl)carnitine

> <DEFINITION>
An O-acylcarnitine having 11-carboxyundecanoyl as the acyl substituent.

> <STAR>
3

> <SYNONYM>
3-[(11-carboxyundecanoyl)oxy]-4-(trimethylammonio)butanoate

> <IUPAC_NAME>
3-[(11-carboxyundecanoyl)oxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C19H35NO6

> <MASS>
373.48430

> <MONOISOTOPIC_MASS>
373.24644

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C19H35NO6/c1-20(2,3)15-16(14-18(23)24)26-19(25)13-11-9-7-5-4-6-8-10-12-17(21)22/h16H,4-15H2,1-3H3,(H-,21,22,23,24)

> <INCHIKEY>
ULLMWXPSQSZINF-UHFFFAOYSA-N

> <PUBMED_CITATION>
23315938

$$$$