LMFA07070136
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0     0  0            999 V2000
   -1.8573    2.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0373    1.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836    0.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902    0.8784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082   -0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411   -0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4658    0.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4658    0.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3617   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082   -1.4352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617   -1.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827   -1.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082   -2.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7290    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6008    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4726    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3444    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2161    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0879    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9597    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8315    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7033    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5750    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4468    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3186    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1904    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0622    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4  3  1  6  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  2  10  -1  11   1
M  END
> <LM_ID>
LMFA07070136

> <COMMON_NAME>
pentadecanoylcarnitine

> <SYSTEMATIC_NAME>
O-pentadecanoyl-R-carnitine

> <FORMULA>
C22H43NO4

> <MASS>
385.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MDDWQHVKSHTZTD-HXUWFJFHSA-N

> <INCHI>
InChI=1S/C22H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-20(18-21(24)25)19-23(2,3)4/h20H,5-19H2,1-4H3/t20-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165597

> <ABBREVIATION>
CAR 15:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
145720488

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
35999445

$$$$