LMFA01170023
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   16.9268    6.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6665    5.6081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9268    6.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1817    5.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4362    6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6908    5.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9454    6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1999    5.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4545    6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7090    5.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9636    6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2181    5.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4727    6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7272    5.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9818    6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2363    5.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4909    6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    5.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1817    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  4 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170023

> <COMMON_NAME>
2-methyl-hexadecanedioic acid

> <SYSTEMATIC_NAME>
2-methyl-hexadecanedioic acid

> <FORMULA>
C17H32O4

> <MASS>
300.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LCEXLICTPWSGLL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H32O4/c1-15(17(20)21)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h15H,2-14H2,1H3,(H,18,19)(H,20,21)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169304

> <ABBREVIATION>
FA 17:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9543663

> <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>
-

$$$$