LMFA01090040
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   17.4825    5.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2111    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4825    6.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7485    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0142    5.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2800    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5457    5.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8114    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0771    5.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3428    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6085    5.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8743    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1400    5.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4057    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6714    5.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9371    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2028    5.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4686    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7343    5.4207    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
   16.0142    6.0195    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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090040

> <COMMON_NAME>
3-iodo-octadecanoic acid

> <SYSTEMATIC_NAME>
3-iodo-octadecanoic acid

> <FORMULA>
C18H35IO2

> <MASS>
410.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Octadecanoic acid, 3-iodo-; 3-Iodostearic acid

> <INCHI_KEY>
DJFRHANNURBCFM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H35IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17H,2-16H2,1H3,(H,20,21)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169251

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312959

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$