LMFA07010169
  LIPID_MAPS_STRUCTURE_DATABASE

 42 41  0  0  0  0  0  0  0  0999 V2000
   20.1595    7.6670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1595    7.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8212    6.4882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8212    5.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1801    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4587    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7369    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0150    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2931    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5712    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8493    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1274    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4056    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6837    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9618    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2399    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5180    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7961    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0742    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3524    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6305    5.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4377    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7158    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9939    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2720    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5501    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8283    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1064    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3845    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6626    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9407    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2188    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4970    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7751    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0532    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3313    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6094    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1657    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4438    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7219    7.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010169

> <COMMON_NAME>
Linolenyl behenate

> <SYSTEMATIC_NAME>
9Z,12Z,15Z-octadecatrienyl docosanoate

> <FORMULA>
C40H74O2

> <MASS>
586.57

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(18:3(9Z,12Z,15Z)/22:0)

> <INCHI_KEY>
MUTHJOFWVWQBLQ-HLMRNWPHSA-N

> <INCHI>
InChI=1S/C40H74O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20H,3-5,7,9-11,13,15-17,19,21-39H2,1-2H3/b8-6-,14-12-,20-18-

> <SMILES>
O=C(CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCC/C=C\C/C=C\C/C=C\CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165657

> <ABBREVIATION>
WE 40:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935969

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32644

> <CITATION>
22058425

$$$$