Marvin  05131317052D          

 26 25  0  0  0  0            999 V2000
   17.4258   -8.9480    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   16.7112   -8.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9967   -8.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2823   -8.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2823   -7.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9967   -7.2980    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.1402   -9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9967   -9.7731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2823  -10.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5678   -9.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8533  -10.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4243  -10.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7098   -9.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7098   -8.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9954   -8.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2808   -8.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5664   -8.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8520   -8.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1374   -8.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4229   -8.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7085   -8.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2823  -11.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5678   -7.2980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1389   -9.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4258   -9.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1403   -8.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  2  0  0  0  0
  5 23  2  0  0  0  0
 11 24  1  0  0  0  0
 24 12  1  0  0  0  0
 14 13  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
> <ID>
CHEBI:73060

> <NAME>
(5Z)-tetradecenoylcarnitine

> <DEFINITION>
An O-acylcarnitine having (5Z)-tetradecenoyl as the acyl substituent.

> <STAR>
3

> <SYNONYM>
cis-5-tetradecenoylcarnitine; 3-[(5Z)-tetradec-5-enoyloxy]-4-(trimethylammonio)butanoate

> <IUPAC_NAME>
3-[(5Z)-tetradec-5-enoyloxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C21H39NO4

> <MASS>
369.53870

> <MONOISOTOPIC_MASS>
369.28791

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12-

> <INCHIKEY>
NNCBVXBBLABOCB-SEYXRHQNSA-N

> <PUBMED_CITATION>
23315938

$$$$