LMFA07070064
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0            999 V2000
   10.6306   -4.7662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0431   -4.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6306   -3.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8057   -3.3373    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.8057   -4.7662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0431   -2.6228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0431   -5.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8681   -5.4807    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.8681   -4.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8681   -6.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6931   -5.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -4.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6622   -5.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3767   -4.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0912   -5.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333   -5.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -3.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0912   -6.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  1  5  1  1  0  0  0
  3  6  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 15  5  1  0  0  0  0
 15 18  2  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <LM_ID>
LMFA07070064

> <COMMON_NAME>
Fumarycarnitine

> <SYSTEMATIC_NAME>
(3S)-3-{[(2E)-3-carboxyprop-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C11H17NO6

> <MASS>
259.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QMRSJQVUNCCUCI-ZJELKQJVSA-N

> <INCHI>
InChI=1S/C11H17NO6/c1-12(2,3)7-8(6-10(15)16)18-11(17)5-4-9(13)14/h4-5,8H,6-7H2,1-3H3,(H-,13,14,15,16)/b5-4+/t8-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0013134

> <CHEBI_ID>
173849

> <ABBREVIATION>
CAR 4:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53481630

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$