LMFA03030003
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
    7.6077    8.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6077    7.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3545    7.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3545    8.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    9.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2277    7.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0993    7.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0993    8.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2277    9.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9762    7.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8512    7.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7263    7.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6014    7.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4766    7.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3534    7.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1094    8.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9864    9.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8614    8.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7364    9.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9762    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828   10.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8614    8.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  1  6  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  6  0  0  0
  8 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  0  0  0  0
  9 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
 11 21  1  6  0  0  0
  6 22  1  6  0  0  0
  2 23  1  4  0  0  0
 19 24  2  0  0  0  0
M  END
> <LM_ID>
LMFA03030003

> <COMMON_NAME>
2,3-Dinor-TXB2

> <SYSTEMATIC_NAME>
9S,11,15S-trihydroxy-2,3-dinor-thromboxa-5Z,13E-dien-1-oic acid

> <FORMULA>
C18H30O6

> <MASS>
342.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,3-Dinor-Thromboxane B2

> <INCHI_KEY>
RJHNVFKNIJQTQF-LMIBIYGPSA-N

> <INCHI>
InChI=1S/C18H30O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,18-20,23H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14-,15-,16+,18?/m0/s1

> <SMILES>
C1[C@H](O)[C@H](C/C=C\CC(=O)O)[C@@H](/C=C/[C@@H](O)CCCCC)OC1O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0002904

> <CHEBI_ID>
89991

> <ABBREVIATION>
FA 18:3;O4

> <CAYMAN_ID>
19050

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283138

> <LIPIDBANK_ID>
XPR2111

> <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>
914816

$$$$