LMFA01170119
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.8580    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4290    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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>
LMFA01170119

> <COMMON_NAME>
Methylsuccinic acid

> <SYSTEMATIC_NAME>
2-methyl-butanedioic acid

> <FORMULA>
C5H8O4

> <MASS>
132.04

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WXUAQHNMJWJLTG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0001844

> <CHEBI_ID>
91315

> <ABBREVIATION>
FA 5:1;O2

> <CAYMAN_ID>
36430

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10349

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$