LMFA01030869
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0  0  0  0  0999 V2000
   16.0021    5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7299    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0021    6.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2690    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5354    5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8019    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0684    5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3349    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6014    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8680    5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1345    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4010    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6675    5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9339    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2004    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4669    5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7335    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  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
M  END
> <LM_ID>
LMFA01030869

> <COMMON_NAME>
16:3(6Z,9Z,12Z)

> <SYSTEMATIC_NAME>
6Z,9Z,12Z-hexadecatrienoic acid

> <FORMULA>
C16H26O2

> <MASS>
250.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C16:3n-4,7,10

> <INCHI_KEY>
SBEXLJDCZSJDLW-YSTUJMKBSA-N

> <INCHI>
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)/b5-4-,8-7-,11-10-

> <SMILES>
C(CCCC/C=C\C/C=C\C/C=C\CCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180361

> <ABBREVIATION>
FA 16:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921838

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1871145

> <CITATION>
17604037

$$$$