LMFA03030006
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0  0  0  0  0  0  0  0999 V2000
    8.4393    7.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1601    7.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4393    6.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1601    6.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8810    6.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6018    6.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3226    6.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9924    7.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7133    7.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4341    7.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1549    7.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8757    7.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5965    7.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8757    6.9126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2751    7.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2751    6.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9959    6.1526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167    6.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167    7.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9959    7.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8810    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9959    8.6494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.1526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1548    6.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8756    6.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5964    6.0798    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
  5 21  1  6  0  0  0
 20 22  1  6  0  0  0
 16 23  1  4  0  0  0
  7 24  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA03030006

> <COMMON_NAME>
TXB3

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

> <FORMULA>
C20H32O6

> <MASS>
368.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Thromboxane B3

> <INCHI_KEY>
OYPPJMLKAYYWHH-NXJDUNGTSA-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+/t15-,16-,17-,18+,20?/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
84444

> <ABBREVIATION>
FA 20:4;O4

> <CAYMAN_ID>
19990

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283140

> <LIPIDBANK_ID>
XPR2102

> <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>
20671299

$$$$