LMFA01170099
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    8.5229    6.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8084    5.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2373    5.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5229    7.1995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    7.1995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2209    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170099

> <COMMON_NAME>
Citraconic acid

> <SYSTEMATIC_NAME>
2-methyl-2Z-butenedioic acid

> <FORMULA>
C5H6O4

> <MASS>
130.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HNEGQIOMVPPMNR-IHWYPQMZSA-N

> <INCHI>
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-

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

> <KEGG_ID>
C02226

> <HMDB_ID>
HMDB0000634

> <CHEBI_ID>
17626

> <ABBREVIATION>
FA 5:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
643798

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$