LMFA01090168
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   -0.4307   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4307   -0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4307    0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1668   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9032   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7714   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6396   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5078   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3760   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2442   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1124   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9806   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8489   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7171   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5853   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4535   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3217   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1899   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0581   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9263   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7945   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9263   -1.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7714   -1.7461    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  3  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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  1  0  0  0  0
 22 24  1  0     0  0
  8 25  1  0     0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090168

> <COMMON_NAME>
6-Cl-iso 22:1 delta4

> <SYSTEMATIC_NAME>
6-chloro-20-methyl-4-heneicosenoic acid

> <FORMULA>
C22H41O2Cl

> <MASS>
372.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FFZCOHMEGKRJMY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H41ClO2/c1-20(2)16-12-10-8-6-4-3-5-7-9-11-13-17-21(23)18-14-15-19-22(24)25/h14,18,20-21H,3-13,15-17,19H2,1-2H3,(H,24,25)

> <SMILES>
C(CCC=CC(Cl)CCCCCCCCCCCCCC(C)C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <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>
Branched fatty acids [FA0102]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
2630499

> <CITATION>
-

$$$$