LMFA01060104
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
   14.2321    5.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8864    5.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2321    6.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5729    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9134    5.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2540    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5945    5.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9351    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2756    5.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6162    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9567    5.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2973    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6378    5.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9784    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3189    5.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6595    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5729    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2540    5.0000    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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4 19  1  0  0  0  0
  6 18  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060104

> <COMMON_NAME>
2-methyl-4-oxo-pentadecanoic acid

> <SYSTEMATIC_NAME>
2-methyl-4-oxo-pentadecanoic acid

> <FORMULA>
C16H30O3

> <MASS>
270.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GVHVXECTVZRTNB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-14(2)16(18)19/h14H,3-13H2,1-2H3,(H,18,19)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196127

> <ABBREVIATION>
FA 16:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312897

> <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>
-

$$$$