LMFA01030498
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    8.6896    5.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4218    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6896    6.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2139    5.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4759    5.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7380    6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8456    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  3  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030498

> <COMMON_NAME>
3-hexynoic acid

> <SYSTEMATIC_NAME>
3-hexynoic acid

> <FORMULA>
C6H8O2

> <MASS>
112.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-Hexynoic acid

> <INCHI_KEY>
JHBKYZNFFMIFDA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2,5H2,1H3,(H,7,8)

> <SMILES>
C(CC#CCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 6:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312635

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$