Marvin  05131315262D          

 19 18  0  0  0  0            999 V2000
    9.5030   -5.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2156   -5.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9281   -5.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9281   -6.2464    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5030   -6.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6407   -5.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905   -5.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905   -4.1895    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.7905   -3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9304   -6.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6449   -6.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3595   -6.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0740   -6.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7885   -6.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2158   -6.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9304   -7.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7885   -7.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5050   -3.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0760   -3.7770    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  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 14 17  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <ID>
CHEBI:73040

> <NAME>
O-glutarylcarnitine

> <DEFINITION>
An O-acylcarnitine having glutaryl as the acyl substituent.

> <STAR>
3

> <SYNONYM>
glutarylcarnitine; 3-[(4-carboxybutanoyl)oxy]-4-(trimethylammonio)butanoate

> <IUPAC_NAME>
3-[(4-carboxybutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C12H21NO6

> <MASS>
275.29820

> <MONOISOTOPIC_MASS>
275.13689

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C12H21NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h9H,4-8H2,1-3H3,(H-,14,15,16,17)

> <INCHIKEY>
NXJAXUYOQLTISD-UHFFFAOYSA-N

> <PUBMED_CITATION>
23315938

$$$$