LMFA01020030
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    6.4083    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1228    6.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8373    5.8308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1228    7.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5833    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  2  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020030

> <COMMON_NAME>
Tiglic acid

> <SYSTEMATIC_NAME>
2-methyl-2E-butenoic acid

> <FORMULA>
C5H8O2

> <MASS>
100.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
alpha,beta-dimethyl acrylic acid; 2-Methyl-2-butenoic acid; (E)-2-methyl-Crotonic acid

> <INCHI_KEY>
UIERETOOQGIECD-ONEGZZNKSA-N

> <INCHI>
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+

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

> <KEGG_ID>
C08279

> <HMDB_ID>
HMDB0001470

> <CHEBI_ID>
9592

> <ABBREVIATION>
FA 5:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
125468

> <LIPIDBANK_ID>
DFA0255

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$