LMFA01170095
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
    9.2870    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1435    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    7.0624    0.0000 O   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
    5.0000    6.2375    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
    7.8580    7.0624    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170095

> <COMMON_NAME>
3-methyl-adipic acid

> <SYSTEMATIC_NAME>
3-methyl-hexanedioic acid

> <FORMULA>
C7H12O4

> <MASS>
160.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SYEOWUNSTUDKGM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00555

> <CHEBI_ID>
68503

> <ABBREVIATION>
FA 7:1;O2

> <CAYMAN_ID>
36452

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12292

> <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>
-

$$$$