LMFA07010172
  LIPID_MAPS_STRUCTURE_DATABASE

 42 41  0     0  0            999 V2000
   23.3781    9.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3781    8.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1730    7.8511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1730    6.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4028    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5363    6.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6692    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8020    6.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9349    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0678    6.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2005    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3334    6.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4663    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5993    6.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7320    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8649    6.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9978    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1306    6.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2635    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3962    6.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5291    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6621    6.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7950    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9278    6.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5110    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6438    8.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7767    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9096    8.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0423    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1753    8.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3082    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4411    8.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5739    8.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7067    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8396    8.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9724    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1053    8.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2383    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3710    8.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5039    8.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6368    8.5203    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  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
 20 21  1  0  0  0  0
 21 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
  2 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  2  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>
LMFA07010172

> <COMMON_NAME>
WE 22:0/18:1(9Z)

> <SYSTEMATIC_NAME>
docosanyl 9Z-octadecenoate

> <FORMULA>
C40H78O2

> <MASS>
590.60

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(22:0/18:1(9Z)); docosyl 9Z-; Behenyl oleate

> <INCHI_KEY>
QKPJNZCOIFUYNE-MOHJPFBDSA-N

> <INCHI>
InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h18,24H,3-17,19-23,25-39H2,1-2H3/b24-18-

> <SMILES>
O=C(CCCCCCC/C=C\CCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165648

> <ABBREVIATION>
WE 40:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935970

> <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; 9606

> <CITATION>
22058425; 38556723

$$$$