LMFA01031051
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.4308   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1670   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9035   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7718   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6402   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5084   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3767   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2450   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1133   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9815   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8498   -1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7181   -1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5864   -1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4546   -1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3229   -1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1912   -1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  3  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  1  0     0  0
M  END
> <LM_ID>
LMFA01031051

> <COMMON_NAME>
8E,10E-Octadecadien-12-ynoic acid

> <SYSTEMATIC_NAME>
8E,10E-Octadecadien-12-ynoic acid

> <FORMULA>
C18H28O2

> <MASS>
276.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8,10-Octadecadien-12-ynoic acid, (8E,10E)-; Octadeca-8t,10t-dien-12-ynoic acid; 8t,10t-Octadecadiene-12-ynoic acid; 8t,10t-Octadecadien-12-ynoic acid

> <INCHI_KEY>
DTTMENSUKKOUKN-BNFZFUHLSA-N

> <INCHI>
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-11H,2-5,12-17H2,1H3,(H,19,20)/b9-8+,11-10+

> <SMILES>
C(CCCCCC/C=C/C=C/C#CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9814179

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
127994

> <CITATION>
9688176

$$$$