LMFA07070026
  LIPID_MAPS_STRUCTURE_DATABASE

 30 29  0     0  0            999 V2000
   -1.8734    2.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8732    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0463    1.0231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3869    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936    0.8861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3195   -0.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458   -0.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785    0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785    0.8312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822   -0.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3195   -1.4476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3822   -1.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4869   -1.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3195   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7527    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6321    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5114    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3907    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2701    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1494    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0288    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9081    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7874    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5461    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4255    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3048    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1842    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0635    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6321    2.5080    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  1  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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 16 30  1  6  0  0  0
M  CHG  2  10  -1  11   1
M  END
> <LM_ID>
LMFA07070026

> <COMMON_NAME>
(9Z,12Z)-3-hydroxyhexadecadienoylcarnitine

> <SYSTEMATIC_NAME>
3-{[(9Z,12Z)-3-hydroxyhexadeca-9,12-dienoyl]oxy}-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C23H41NO5

> <MASS>
411.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-{[(9Z,12Z)-3-hydroxyhexadeca-9,12-dienoyl]oxy}-4-(trimethylammonio)butanoate;9-cis,12-cis-3-hydroxyhexadecadienoylcarnitine

> <INCHI_KEY>
CPHHQDCIGLXPCO-QXNHBNDMSA-N

> <INCHI>
InChI=1S/C23H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)17-23(28)29-21(18-22(26)27)19-24(2,3)4/h7-8,10-11,20-21,25H,5-6,9,12-19H2,1-4H3/b8-7-,11-10-/t20-,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
CAR 16:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71464484

> <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>
-

$$$$