LMFA01020096
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   12.9885    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7206    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8546    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5867    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4528    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3188    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1849    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0509    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9170    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7830    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6492    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7830    7.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1226    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2565    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3905    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6585    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    7.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020096

> <COMMON_NAME>
Isononadecanoic acid

> <SYSTEMATIC_NAME>
17-methyl-octadecanoic acid

> <FORMULA>
C19H38O2

> <MASS>
298.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YETXGSGCWODRAA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037397

> <CHEBI_ID>
133136

> <ABBREVIATION>
FA 19:0

> <CAYMAN_ID>
26766

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3083779

> <LIPIDBANK_ID>
DFA7064

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
469326; 10090; 335173

> <CITATION>
11374956; 6501487; 25716335

$$$$