LMFA01031063
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
    7.7944    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9284   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3302    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4642   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3302   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1963   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0623   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9284   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7944   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6604   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944    1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6604   -0.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  3  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  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
  1 21  2  0     0  0
  1 22  1  0     0  0
M  END
> <LM_ID>
LMFA01031063

> <COMMON_NAME>
6-Eicosynoic acid

> <SYSTEMATIC_NAME>
Eicos-6-ynoic acid

> <FORMULA>
C20H36O2

> <MASS>
308.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HLNQNCPNBDSXTO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-13,16-19H2,1H3,(H,21,22)

> <SMILES>
C(O)(=O)CCCCC#CCCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
49770728

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
85161

> <CITATION>
27519761

$$$$