LMFA03030005
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0     0  0            999 V2000
    8.6840    9.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    9.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6840    7.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    7.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4314    7.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3051    7.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1788    7.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5666    9.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4403    9.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3141    9.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1878    9.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0615    9.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9352    9.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0615    8.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    7.4578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080    7.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080    8.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    9.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    8.4666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4314    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1877    7.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0613    7.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9350    7.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  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  8  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  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 15  1  0  0  0  0
 19  1  1  6  0  0  0
 18  3  1  1  0  0  0
 20 21  1  6  0  0  0
 16 21  1  6  0  0  0
  5 22  1  6  0  0  0
  7 23  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
> <LM_ID>
LMFA03030005

> <COMMON_NAME>
TXA3

> <SYSTEMATIC_NAME>
9S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E,17Z-trien-1-oic acid

> <FORMULA>
C20H30O5

> <MASS>
350.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Thromboxane A3

> <INCHI_KEY>
NMZKLLJQNNTBRJ-OIXZZONUSA-N

> <INCHI>
InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h3-4,6-7,12-13,15-18,20-21H,2,5,8-11,14H2,1H3,(H,22,23)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1

> <SMILES>
C([C@H]1[C@H]2O[C@@H](O[C@@H]1/C=C/[C@@H](O)C/C=C\CC)C2)/C=C\CCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165349

> <ABBREVIATION>
FA 20:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283139

> <LIPIDBANK_ID>
XPR2002

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
9606

> <CITATION>
218223

$$$$