LMFA01170117
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    8.5913    5.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8796    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1677    5.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4559    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    5.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3030    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5913    6.2328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7520    6.2328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1677    6.2328    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
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  8  5  1  0  0  0  0
  5  9  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170117

> <COMMON_NAME>
Methylglutaric acid

> <SYSTEMATIC_NAME>
3-methyl-pentanedioic acid

> <FORMULA>
C6H10O4

> <MASS>
146.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XJMMNTGIMDZPMU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000752

> <CHEBI_ID>
68566

> <ABBREVIATION>
FA 6:1;O2

> <CAYMAN_ID>
34357

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12284

> <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>
-

$$$$