LMFA01090037
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
   16.0455    6.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7761    5.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0455    6.6983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3094    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5730    6.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8366    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1002    6.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3639    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6275    6.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8911    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1547    6.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4183    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6819    6.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9455    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2092    6.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7364    6.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3094    5.0000    0.0000 I   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
M  END
> <LM_ID>
LMFA01090037

> <COMMON_NAME>
2-iodo-hexadecanoic acid

> <SYSTEMATIC_NAME>
2-iodo-hexadecanoic acid

> <FORMULA>
C16H31IO2

> <MASS>
382.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Hexadecanoic acid, 2-iodo-; 2-Iodohexadecanoic acid

> <INCHI_KEY>
YLPKUDQPEREJNG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312957

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$