LMFA01170103
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.1435    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0165    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8415    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
  3  7  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170103

> <COMMON_NAME>
dimethyl-malonic acid

> <SYSTEMATIC_NAME>
2,2-dimethyl-propanedioic 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>
OREAFAJWWJHCOT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0002001

> <CHEBI_ID>
111517

> <ABBREVIATION>
FA 5:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11686

> <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>
-

$$$$