Mrv0541 12161409382D          

 30 29  0  0  0  0            999 V2000
    1.8408    0.0195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8369   -0.8057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608    0.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1246    0.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    0.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4045   -0.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078    0.4421    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5631    1.2575    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2789    1.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8497    1.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631    2.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2670   -1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5525   -0.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5514   -1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2658   -0.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803   -1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6947   -0.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092   -1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1236   -0.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8380   -1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5514   -2.0432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2670   -2.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5526   -2.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5526   -3.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8382   -3.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -3.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4093   -3.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948   -3.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9804   -3.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2659   -3.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  3  8  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
 22 12  2  0  0  0  0
 13 12  1  0  0  0  0
 14 21  2  0  0  0  0
 14  2  1  0  0  0  0
 14 15  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
 20 13  1  0  0  0  0
 19 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
M  CHG  2   7  -1   8   1
M  END
> <ID>
CHEBI:84098

> <NAME>
O-linoleyl-L-carnitine

> <DEFINITION>
An O-octadecadienoyl-L-carnitine where the acyl group specified is linoleyl.

> <STAR>
3

> <SYNONYM>
Octadecadienyl-L-carnitine; Decadienylcarnitine

> <IUPAC_NAME>
(3R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-4-(trimethylammonio)butanoate

> <FORMULA>
C25H45NO4

> <MASS>
423.62910

> <MONOISOTOPIC_MASS>
423.33486

> <CHARGE>
0

> <SMILES>
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C

> <INCHI>
InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1

> <INCHIKEY>
MJLXQSQYKZWZCB-DQFWFXSYSA-N

> <CAS_REGISTRY_NUMBER>
36816-10-1

> <REAXYS_REGISTRY_NUMBER>
4007077

> <CHEMIDPLUS>
36816-10-1

> <PUBMED_CITATION>
22806411

$$$$