LMFA07070094
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0            999 V2000
    8.9447   -4.9956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9447   -7.4707    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2301   -6.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6590   -3.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8012   -3.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5157   -4.9956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0880   -5.4081    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.3736   -4.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6590   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8025   -5.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6590   -6.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9447   -6.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9447   -4.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2301   -3.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5157   -4.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8025   -4.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0880   -6.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2300   -2.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END
> <LM_ID>
LMFA07070094

> <COMMON_NAME>
O-methylmalonylcarnitine

> <SYSTEMATIC_NAME>
3-[(2-carboxypropanoyl)oxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C11H19NO6

> <MASS>
261.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-[(2-carboxypropanoyl)oxy]-4-(trimethylammonio)butanoate

> <INCHI_KEY>
XROYFEWIXXCPAW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H19NO6/c1-7(10(15)16)11(17)18-8(5-9(13)14)6-12(2,3)4/h7-8H,5-6H2,1-4H3,(H-,13,14,15,16)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
73031

> <ABBREVIATION>
CAR 4:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71464478

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$