LMFA01090038
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
   16.0455    5.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7762    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0455    6.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3095    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5731    5.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8367    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1003    5.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3639    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6275    5.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8911    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1547    5.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4183    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6820    5.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9456    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2092    5.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7364    5.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5731    6.0225    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
  5 19  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090038

> <COMMON_NAME>
3-iodo-hexadecanoic acid

> <SYSTEMATIC_NAME>
3-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, 3-iodo-

> <INCHI_KEY>
NCMJGOFMXHKQDT-UHFFFAOYSA-N

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

> <SMILES>
C(CC(I)CCCCCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312958

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$