LMFA01031109
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.4400   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4400   -0.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400    0.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9868   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8736   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7604   -1.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6472   -1.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5340   -1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4208   -1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3077   -1.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1945   -1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0813   -1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9681   -1.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8549   -1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7417   -1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6285   -1.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5153   -1.2702    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  3  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
M  END
> <LM_ID>
LMFA01031109

> <COMMON_NAME>
Dicranin

> <SYSTEMATIC_NAME>
9Z,12Z,15Z-octadecatrien-6-ynoic acid 

> <FORMULA>
C18H26O2

> <MASS>
274.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid;  (9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid; Octadeca-6-yn-9,12,15(all Z)-trienoic acid (18:4a)

> <INCHI_KEY>
UXMMIMGEKFYPFK-PDBXOOCHSA-N

> <INCHI>
InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-

> <SMILES>
C(CCCCC#CC/C=C\C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
65768

> <ABBREVIATION>
FA 18:5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44584408

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3222

> <CITATION>
8377015

$$$$