Mrv0541 02031415542D          

 26 25  0  0  0  0            999 V2000
   12.5495   -5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2640   -5.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8351   -5.4369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.5495   -6.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4061   -7.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1207   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8351   -7.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8351   -7.9119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9772   -7.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2627   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5482   -7.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8337   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9785   -5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6929   -5.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6929   -4.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4074   -5.8494    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1193   -7.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4049   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904   -7.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9759   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614   -7.0869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9760   -5.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1206   -5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8351   -4.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1206   -5.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  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  2  1  0  0  0  0
 16 15  2  0  0  0  0
 15 17  1  0  0  0  0
 14 15  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  CHG  2   3   1  17  -1
M  END
> <ID>
CHEBI:74121

> <NAME>
O-dodecanedioylcarnitine

> <DEFINITION>
An O-acylcarnitine having 11-carboxyundecanoyl as the acyl substituent.

> <STAR>
3

> <SYNONYM>
dodecanedioylcarnitine

> <IUPAC_NAME>
4-[(11-carboxyundecanoyl)oxy]-4-(trimethylammonio)butanoate

> <FORMULA>
C19H35NO6

> <MASS>
373.48430

> <MONOISOTOPIC_MASS>
373.24644

> <CHARGE>
0

> <SMILES>
C[N+](C)(C)C(CCC([O-])=O)OC(=O)CCCCCCCCCCC(O)=O

> <INCHI>
InChI=1S/C19H35NO6/c1-20(2,3)16(14-15-18(23)24)26-19(25)13-11-9-7-5-4-6-8-10-12-17(21)22/h16H,4-15H2,1-3H3,(H-,21,22,23,24)

> <INCHIKEY>
VJPIDPQNAYWULC-UHFFFAOYSA-N

$$$$