LMFA07070087
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0            999 V2000
    6.6715   -9.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3860  -10.1668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9570  -10.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6715   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1005   -9.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9570  -10.9918    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9570   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8149  -10.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1005   -8.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9570   -7.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2426   -8.9292    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5295   -9.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9570  -11.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2439  -10.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9584   -9.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6729  -10.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3873   -9.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6729  -10.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2425  -11.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6715  -11.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  6 13  1  0  0  0  0
 12 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
 16 18  2  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
M  CHG  2   6   1  11  -1
M  END
> <LM_ID>
LMFA07070087

> <COMMON_NAME>
O-adipoylcarnitine

> <SYSTEMATIC_NAME>
3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C13H23NO6

> <MASS>
289.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-[(5-carboxypentanoyl)oxy]-4-(trimethylammonio)butanoate

> <INCHI_KEY>
BSVHAXJKBCWVDA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0061677

> <CHEBI_ID>
68568

> <ABBREVIATION>
CAR 6:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000000870

> <PUBCHEM_COMPOUND_ID>
71296139

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$