LMFA01170063
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    6.2563    6.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9700    6.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6956    6.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4094    6.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2563    7.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.0802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4094    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1231    6.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9700    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  5  1  2  0  0  0  0
  3  2  1  0  0  0  0
  9  2  2  0  0  0  0
  4  3  1  0  0  0  0
  8  4  1  0  0  0  0
  7  4  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170063

> <COMMON_NAME>
Itaconic acid

> <SYSTEMATIC_NAME>
2-methylenebutanedioic 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>
2-methylidenebutanedioic acid;2-methylenesuccinic acid; 2-propene-1,2-dicarboxylic acid; Methylenesuccinic acid;  propylenedicarboxylic acid

> <INCHI_KEY>
LVHBHZANLOWSRM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)

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

> <KEGG_ID>
C00490

> <HMDB_ID>
HMDB0002092

> <CHEBI_ID>
30838

> <ABBREVIATION>
FA 5:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
811

> <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>
-

$$$$