Marvin  05141314522D          

 32 31  0  0  0  0            999 V2000
   18.7376  -10.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0231  -10.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0231  -11.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7375  -12.1566    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   17.3086  -10.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5941  -10.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5942  -11.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8797  -10.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7376   -9.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4521   -9.2692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0232   -9.2691    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.4520  -12.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1652  -10.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4507  -10.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7362  -10.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0218  -10.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3073  -10.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5929  -10.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8784  -10.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1640  -10.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4494  -10.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7349  -10.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7351   -9.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0206   -9.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0206   -8.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7351   -8.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7351   -7.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4496   -6.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4497   -5.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1642   -5.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7375  -12.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4520  -11.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
  1  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 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
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
M  CHG  2   4   1  11  -1
M  END
> <ID>
CHEBI:73119

> <NAME>
(11Z,14Z)-eicosadienoylcarnitine

> <DEFINITION>
An O-acylcarnitine having (11Z,14Z)-eicosadienoyl as the acyl substituent.

> <STAR>
3

> <SYNONYM>
3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-4-(trimethylammonio)butanoate; 11-cis,14-cis-icosadienoylcarnitine; 11-cis,14-cis-eicosadienoylcarnitine; (11Z,14Z)-icosadienoylcarnitine

> <IUPAC_NAME>
3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C27H49NO4

> <MASS>
451.68230

> <MONOISOTOPIC_MASS>
451.36616

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C27H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h9-10,12-13,25H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-

> <INCHIKEY>
OLZWDVKTOGTVLC-UTJQPWESSA-N

> <PUBMED_CITATION>
23315938

$$$$