LMFA04000126
  LIPID_MAPS_STRUCTURE_DATABASE

 28 28  0     0  0            999 V2000
   15.5921    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4109    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4109    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3041    7.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1953    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1953    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3041    9.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0885    7.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9800    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9800    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0885    9.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8749    7.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7698    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6646    7.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5597    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4544    7.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3493    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9075    9.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8024    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6972    9.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8749    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3409    9.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3041   10.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2069    8.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0729    9.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2070    7.8743    0.0000 O   0  0  0  0  0  0  0  0  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
  2  7  1  0  0  0  0
  5  8  1  1  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  6  0  0  0
  9 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
 10 18  2  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  1  1  0  0  0  0
 12 22  1  6  0  0  0
  1 23  1  0  0  0  0
  7 24  1  6  0  0  0
  3 25  1  4  0  0  0
 23 26  1  0     0  0
 26 27  1  0     0  0
 26 28  2  0     0  0
M  END
> <LM_ID>
LMFA04000126

> <COMMON_NAME>
dihomo-TXB2

> <SYSTEMATIC_NAME>
9S,11,15S-trihydroxy-2,3-dihomo-thromboxa-5Z,13E-dien-1-oic acid

> <FORMULA>
C22H38O6

> <MASS>
398.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
dihomo-thromboxane B2

> <INCHI_KEY>
PXYWKDWTLGSULH-PFMLMISMSA-N

> <INCHI>
InChI=1S/C22H38O6/c1-2-3-8-11-17(23)14-15-20-18(19(24)16-22(27)28-20)12-9-6-4-5-7-10-13-21(25)26/h6,9,14-15,17-20,22-24,27H,2-5,7-8,10-13,16H2,1H3,(H,25,26)/b9-6-,15-14+/t17-,18-,19-,20+,22?/m0/s1

> <SMILES>
C(CC(=O)O)CCC/C=C\C[C@H]1[C@@H](O)CC(O)O[C@@H]1/C=C/[C@@H](O)CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328149

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9606

> <CITATION>
3918572

$$$$