LMFA01020289
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0     0  0            999 V2000
   17.4604    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3306    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4604    7.5679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5840    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7070    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8301    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9531    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0762    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1992    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3224    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4455    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5685    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6915    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8146    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9377    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4611    7.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4144    7.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020289

> <COMMON_NAME>
Neopalmitic acid

> <SYSTEMATIC_NAME>
13,13-dimethyl-tetradecanoic acid

> <FORMULA>
C16H32O2

> <MASS>
256.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Neohexadecanoic acid

> <INCHI_KEY>
WPAIKZNPOIBQQC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H32O2/c1-16(2,3)14-12-10-8-6-4-5-7-9-11-13-15(17)18/h4-14H2,1-3H3,(H,17,18)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179745

> <ABBREVIATION>
FA 16:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
2802985

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
546994; 6715

> <CITATION>
16808146; 16808146

$$$$