LMFA01170116
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    8.4123    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170116

> <COMMON_NAME>
Mesaconic acid

> <SYSTEMATIC_NAME>
2-methyl-2E-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-NSCUHMNNSA-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>
C01732

> <HMDB_ID>
HMDB0000749

> <CHEBI_ID>
16600

> <ABBREVIATION>
FA 5:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
638129

> <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>
-

$$$$