LMFA03030002
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0  0  0  0  0  0  0  0999 V2000
   12.8636    7.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1140    7.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1140    6.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8509    6.0994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862    6.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862    7.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8509    7.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3231    6.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0586    6.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0586    7.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3231    7.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7969    6.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5352    6.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2734    6.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0118    6.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    6.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4883    6.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9104    7.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6488    7.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3871    7.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1253    7.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7969    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8636    6.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4813    7.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8509    8.4819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.2022    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  2  0  0  0  0
  1 24  1  0  0  0  0
  7 25  1  6  0  0  0
  3 26  1  4  0  0  0
M  END
> <LM_ID>
LMFA03030002

> <COMMON_NAME>
TXB2

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

> <FORMULA>
C20H34O6

> <MASS>
370.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Thromboxane B2

> <INCHI_KEY>
XNRNNGPBEPRNAR-JQBLCGNGSA-N

> <INCHI>
InChI=1S/C20H34O6/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/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1

> <SMILES>
C(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>
C05963

> <HMDB_ID>
HMDB0003252

> <CHEBI_ID>
28728

> <ABBREVIATION>
FA 20:3;O4

> <CAYMAN_ID>
19030

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283137

> <LIPIDBANK_ID>
XPR2101

> <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

$$$$