LMFA01030006
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
> <LM_ID>
LMFA01030006

> <COMMON_NAME>
beta-penteic acid

> <SYSTEMATIC_NAME>
3-pentenoic acid

> <FORMULA>
C5H8O2

> <MASS>
100.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
beta-pentenoic acid; C5:1n-2

> <INCHI_KEY>
UIUWNILCHFBLEQ-NSCUHMNNSA-N

> <INCHI>
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+

> <SMILES>
C/C=C/CC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
38370

> <ABBREVIATION>
FA 5:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282706

> <LIPIDBANK_ID>
DFA0045

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$