LMFA07070112
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0     0  0            999 V2000
   -1.8814    2.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8813    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0508    1.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3886    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3953    0.8898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251   -0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481   -0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    0.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3923   -0.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251   -1.4538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3923   -1.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890   -1.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251   -2.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7645    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6476    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5307    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4139    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2970    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1801    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0632    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9463    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8294    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7125    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5956    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4787    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3619    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2450    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1281    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0113    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8944    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  5  1  6     0  0
  6  4  1  0     0  0
  7  4  1  0     0  0
  8  7  1  0     0  0
  8  9  2  0     0  0
  8 10  1  0     0  0
  4  3  1  1     0  0
  6 11  1  0     0  0
 11 12  1  0     0  0
 11 13  1  0     0  0
 11 14  1  0     0  0
  2 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
M  CHG  2  10  -1  11   1
M  END
> <LM_ID>
LMFA07070112

> <COMMON_NAME>
Gamma-linolenyl carnitine

> <SYSTEMATIC_NAME>
(4S)-4-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C25H43NO4

> <MASS>
421.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Gamma-linolenoyl carnitine; O-((6Z,9Z,12Z)-octadecacatrienoyl)-S-carnitine

> <INCHI_KEY>
YCINYVPLUUGAJO-BAHSRKMSSA-N

> <INCHI>
InChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,15-16,23H,5-8,11,14,17-22H2,1-4H3/b10-9-,13-12-,16-15-/t23-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
CAR 18:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812245

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$