CDK     1023151742

 16 15  0  0  0  0  0  0  0  0999 V2000
   12.1248   -8.8199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8392   -8.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5537   -8.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5537   -9.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1248   -9.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2682   -8.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4103   -8.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4103   -7.5824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2353   -7.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5853   -7.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4103   -6.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702  -11.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8839  -10.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7111  -10.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1248  -11.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4060  -11.0751    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  6  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 
  8 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
 12 13  2  0  0  0  0 
 14 13  1  0  0  0  0 
  5 14  1  0  0  0  0 
 15 14  2  0  0  0  0 
 12 16  1  0  0  0  0 
M  CHG  1   4  -1
M  CHG  1   8   1
M  END
> <ID>
CHEBI:88785

> <NAME>
Butenylcarnitine

> <STAR>
2

> <SYNONYM>
Butenyl-L-carnitine; (3S)-3-[(2E)-but-2-enoyloxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C11H19NO4

> <MASS>
229.273

> <MONOISOTOPIC_MASS>
229.13141

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C11H19NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+/t9-/m0/s1

> <INCHIKEY>
HQDBMDGXEZLSNK-CYNONHLPSA-N

> <PUBMED_CITATION>
24023812

$$$$