LMFA01030479
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
   16.5883    5.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3070    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5883    6.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8643    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1400    5.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4158    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6915    5.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9672    5.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429    6.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5186    5.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7943    5.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0700    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3457    5.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214    5.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8972    6.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1729    5.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4486    6.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7243    5.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  1  0  0  0  0
  7  8  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  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
M  END
> <LM_ID>
LMFA01030479

> <COMMON_NAME>
5,8,11-heptadecatriynoic acid

> <SYSTEMATIC_NAME>
5,8,11-heptadecatriynoic acid

> <FORMULA>
C17H22O2

> <MASS>
258.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5,8,11-Heptadecatriynoic acid

> <INCHI_KEY>
NZSGEQZZLDDGIV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-5,8,11,14-16H2,1H3,(H,18,19)

> <SMILES>
C(CCCC#CCC#CCC#CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187199

> <ABBREVIATION>
FA 17:6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312618

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$