LMFA01010053
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0  0  0  0  0  0  0  0999 V2000
   13.3146    5.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0645    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3146    6.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5589    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8031    5.6805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0471    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2913    5.6805    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5354    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7795    5.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0236    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677    5.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5118    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7559    5.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8031    6.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2913    6.2970    0.0000 C   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  1  0  0  0
  7 16  1  6  0  0  0
M  END
> <LM_ID>
LMFA01010053

> <COMMON_NAME>
3R,5S-Dimethyldodecanoic acid

> <SYSTEMATIC_NAME>
3R,5S-Dimethyldodecanoic acid

> <FORMULA>
C14H28O2

> <MASS>
228.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Straight chain fatty acids [FA0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BJCDOTOCKDZJAQ-QWHCGFSZSA-N

> <INCHI>
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)/t12-,13+/m0/s1

> <SMILES>
C(C[C@H](C)C[C@@H](C)CCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179785

> <ABBREVIATION>
FA 14:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935800

> <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>
173819

> <CITATION>
21127949

$$$$