LMFA01050425
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0  0  0  0  0  0  0  0999 V2000
   20.0467    5.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7578    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0467    6.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3306    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6140    5.6580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.8975    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1810    5.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4644    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7479    5.6580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0314    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3149    5.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5983    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8818    5.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1652    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4487    5.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7322    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0157    5.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2992    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5826    5.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8661    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1495    5.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7165    5.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6140    6.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7479    6.4790    0.0000 O   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  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
  5 25  1  1  0  0  0
  9 26  1  1  0  0  0
M  END
> <LM_ID>
LMFA01050425

> <COMMON_NAME>
Tetrapedic acid B

> <SYSTEMATIC_NAME>
3R,7R-dihydroxy-docosanoic acid

> <FORMULA>
C22H44O4

> <MASS>
372.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FCJIICMIGKVTBE-NHCUHLMSSA-N

> <INCHI>
InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20(23)17-15-18-21(24)19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)/t20-,21-/m1/s1

> <SMILES>
C(C[C@H](O)CCC[C@H](O)CCCCCCCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73242166

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Docosanoids [FA04]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
889126

> <CITATION>
17530390

$$$$