LMFA07070001
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
    8.4108    9.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6822    8.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3644    8.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0465    8.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7287    8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4109    8.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0931    8.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6371    7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2810    8.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8677    6.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4065    6.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1759    7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1759    7.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9214    6.9296    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.8677    6.0787    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.9911    5.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5546    5.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8677    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  2  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  9  7  1  6  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  CHG  2  15  -1  16   1
M  END
> <LM_ID>
LMFA07070001

> <COMMON_NAME>
O-hexanoyl-R-carnitine

> <SYSTEMATIC_NAME>
O-hexanoyl-R-carnitine

> <FORMULA>
C13H25NO4

> <MASS>
259.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VVPRQWTYSNDTEA-LLVKDONJSA-N

> <INCHI>
InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000756

> <CHEBI_ID>
84834

> <ABBREVIATION>
CAR 6:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000390083

> <PUBCHEM_COMPOUND_ID>
3246938

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$