LMFA01020369
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0  0  0  0  0999 V2000
   15.7509    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4621    6.0687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7509    7.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0345    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3177    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6010    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8842    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1674    6.0687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4507    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7340    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3005    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5837    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8670    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7168    6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6010    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1674    5.2475    0.0000 C   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  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
  6 19  1  0  0  0  0
  8 20  1  1  0  0  0
M  END
> <LM_ID>
LMFA01020369

> <COMMON_NAME>
16:2(2E,4E)(4Me,6Me[S])

> <SYSTEMATIC_NAME>
4,6S-dimethyl-2E,4E-hexadecadienoic acid

> <FORMULA>
C18H32O2

> <MASS>
280.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JYGBGHZWUDFYIP-UAOWLTOQSA-N

> <INCHI>
InChI=1S/C18H32O2/c1-4-5-6-7-8-9-10-11-12-16(2)15-17(3)13-14-18(19)20/h13-16H,4-12H2,1-3H3,(H,19,20)/b14-13+,17-15+/t16-/m0/s1

> <SMILES>
C(/C=C/C(/C)=C/[C@@H](C)CCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196566

> <ABBREVIATION>
FA 18:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921784

> <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>
1191330

> <CITATION>
12027746

$$$$