LMFA07070121
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
   -1.8645    2.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8644    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413    1.0182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3851    0.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3132   -0.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5432   -0.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715    0.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715    0.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708   -0.4141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3132   -1.4408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4846   -1.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3132   -2.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7396    1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6147    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4899    1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3651    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2403    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1153    1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9905    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8657    1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7408    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6160    1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4911    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6147    2.4960    0.0000 O   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  2  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
 16 26  1  6  0  0  0
M  CHG  2  10  -1  11   1
M  END
> <LM_ID>
LMFA07070121

> <COMMON_NAME>
3S,5Z-hydroxydodecenoylcarnitine

> <SYSTEMATIC_NAME>
3S-{[(5Z)-3-hydroxydodec-7-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C19H35NO5

> <MASS>
357.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(5Z)-3-hydroxydodec-5-enoylcarnitine

> <INCHI_KEY>
BMGOQTXCHZIRER-JGUBBDCWSA-N

> <INCHI>
InChI=1S/C19H35NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h10-11,16-17,21H,5-9,12-15H2,1-4H3/b11-10-/t16-,17+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
CAR 12:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117733

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$