LMPR0104010028
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0  0  0  0  0  0  0  0999 V2000
   20.1266    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8414    6.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1266    7.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4066    6.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6863    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9659    6.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2456    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5252    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8049    6.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0846    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3643    6.0728    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.6440    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9236    6.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2033    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4829    6.0728    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7626    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0423    6.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3220    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6016    6.0728    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8813    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1609    6.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4406    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7203    6.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3643    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4829    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6016    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7203    5.2475    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  2  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
 11 25  1  0  0  0  0
 15 26  1  0  0  0  0
 19 27  1  0  0  0  0
 23 28  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104010028

> <COMMON_NAME>
22:1(5Z)(9Me,13Me,17Me,21Me)

> <SYSTEMATIC_NAME>
9,13,17,21-tetramethyl-5Z-docosenoic acid

> <FORMULA>
C26H50O2

> <MASS>
394.38

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Acyclic diterpenoids [PR010401]

> <SYNONYMS>


> <INCHI_KEY>
PGZQYUXXHFRSFY-SREVYHEPSA-N

> <INCHI>
InChI=1S/C26H50O2/c1-22(2)14-11-16-24(4)18-13-20-25(5)19-12-17-23(3)15-9-7-6-8-10-21-26(27)28/h6-7,22-25H,8-21H2,1-5H3,(H,27,28)/b7-6-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52929820

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
289074

> <CITATION>
12691847

$$$$