LMFA03030009
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
   15.5069    8.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4210    9.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5069    7.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5860    9.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6648    8.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7436    9.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8223    8.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9009    8.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9796    9.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0584    8.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1371    9.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2158    8.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2158    7.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1371    7.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0584    7.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9796    7.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9009    7.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8223    7.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7436    7.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6648    7.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5860    7.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5073    7.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4286    7.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1371    9.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8223    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
 10  9  1  6  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  1  0  0  0
 16 17  2  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  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 10 15  1  0  0  0  0
 11 24  1  6  0  0  0
 13 25  2  0  0  0  0
 18 26  1  6  0  0  0
M  END
> <LM_ID>
LMFA03030009

> <COMMON_NAME>
11-dehydro-TXB3

> <SYSTEMATIC_NAME>
9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E,17Z-trienoic acid

> <FORMULA>
C20H30O6

> <MASS>
366.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11-dehydro-Thromboxane B3

> <INCHI_KEY>
OAHMLWQISGEXBB-XMEKLSCHSA-N

> <INCHI>
InChI=1S/C20H30O6/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/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165347

> <ABBREVIATION>
FA 20:5;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061115

> <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>
2357490

$$$$