LMFA01170011
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0  0  0  0  0  0  0  0999 V2000
   14.0386    6.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7859    5.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0386    6.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2856    5.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5324    6.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792    5.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0259    6.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2727    5.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5194    6.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7662    5.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0130    6.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    5.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5065    6.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7532    5.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5324    6.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7532    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170011

> <COMMON_NAME>
3-methyl-dodecanedioic acid

> <SYSTEMATIC_NAME>
3-methyl-dodecanedioic acid

> <FORMULA>
C13H24O4

> <MASS>
244.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LFRDJQLRELTNCX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H24O4/c1-11(10-13(16)17)8-6-4-2-3-5-7-9-12(14)15/h11H,2-10H2,1H3,(H,14,15)(H,16,17)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179524

> <ABBREVIATION>
FA 13:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9543655

> <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>
-

$$$$