LMFA03030016
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0  0  0  0            999 V2000
   23.1586  -11.3163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0151  -12.5538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8731  -12.5538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4441   -8.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0137  -11.3163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7282  -10.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7296  -11.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7296  -12.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4441  -10.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4441  -12.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0151  -10.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1586  -12.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4441  -10.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3006  -11.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1586   -9.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5862  -10.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1586   -8.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8716  -11.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8731   -8.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1572  -10.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4427  -11.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8731   -7.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5875   -7.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7282  -10.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5875   -6.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3021   -5.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4 17  1  0  0  0  0
  5 24  1  0  0  0  0
  6 24  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <LM_ID>
LMFA03030016

> <COMMON_NAME>
Thromboxane B3

> <SYSTEMATIC_NAME>
(5E)-7-{4,6-dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoic acid

> <FORMULA>
C20H32O6

> <MASS>
368.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OYPPJMLKAYYWHH-OHVJZDGFSA-N

> <INCHI>
InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,20-22,25H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3+,7-4+,13-12+

> <SMILES>
O1C(CC(C(C/C=C/CCCC(=O)O)C1/C=C/C(C/C=C/CC)O)O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0005099

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6438711

> <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>
-

> <CITATION>
-

$$$$