Mrv0541 04141510562D          

 30 29  0  0  0  0            999 V2000
   -0.0183   -0.0464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0222   -0.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7016    0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    0.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6938   -1.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4508   -0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4139   -0.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6938   -2.1161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4546   -0.8685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1668    0.3762    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1301   -1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8462   -0.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5623   -1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2785   -0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907   -1.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7070   -0.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4193   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1354   -0.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1408   -0.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4301    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7122   -0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0017    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039    1.1916    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4196    1.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0094    1.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039    2.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2836   -0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5728    0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8547   -0.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1439    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  CHG  2  10  -1  23   1
M  END
> <ID>
CHEBI:84651

> <NAME>
(R)-oleoylcarnitine

> <DEFINITION>
An O-acyl-L-carnitine in which the acyl group is specified as oleoyl.

> <STAR>
3

> <SYNONYM>
Oleoylcarnitine; oleoyl-L-carnitine; O-(9Z)-octadecenoyl-(R)-carnitine; Acylcarnitine C18:1; (R)-[(9Z)-octadecenoyl]carnitine; (9Z)-octadecenoyl-L-carnitine

> <IUPAC_NAME>
(3R)-3-{[(9Z)-octadec-9-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C25H47NO4

> <MASS>
425.64500

> <MONOISOTOPIC_MASS>
425.35051

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-/t23-/m1/s1

> <INCHIKEY>
IPOLTUVFXFHAHI-WHIOSMTNSA-N

> <CAS_REGISTRY_NUMBER>
38677-66-6

> <PUBMED_CITATION>
20538056; 22978602; 24036283; 25032255

$$$$