Marvin  05131315512D          

 22 21  0  0  0  0            999 V2000
    9.2938   -8.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793   -8.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8649   -8.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1505   -8.4300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.2938   -7.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8646   -7.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0082   -8.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0082   -9.2549    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.0082  -10.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8760   -6.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1596   -7.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4431   -6.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7266   -7.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102   -6.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102   -5.9516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8760   -5.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5905   -5.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5904   -4.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3049   -4.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3049   -3.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2937   -9.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7227   -9.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
 14 15  2  0  0  0  0
 10 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
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <ID>
CHEBI:73047

> <NAME>
(2E,4Z)-decadienoylcarnitine

> <DEFINITION>
An O-acylcarnitine having (2E,4Z)-decadienoyl as the acyl substituent.

> <STAR>
3

> <SYNONYM>
cis-4-trans-2-decadienoylcarnitine; 3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylammonio)butanoate

> <IUPAC_NAME>
3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C17H29NO4

> <MASS>
311.41650

> <MONOISOTOPIC_MASS>
311.20966

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+

> <INCHIKEY>
URTBCBICNCMCPB-XAZJVICWSA-N

> <PUBMED_CITATION>
23315938

$$$$