LMFA03030012
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
    7.4816    8.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4816    7.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3642    7.1693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2469    7.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2469    8.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3642    9.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2070    9.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1669    8.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1268    9.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0868    8.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0468    9.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0068    8.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1110    7.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9751    7.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    7.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7033    7.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5674    7.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4315    7.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2958    7.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3642   10.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    7.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0468   10.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    7.6082    0.0000 C   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
  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  1  0  0  0
 13 14  2  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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  6  0  0  0
  2 21  1  4  0  0  0
 15 22  1  6  0  0  0
 11 23  2  0  0  0  0
 19 24  1  0  0  0  0
M  END
> <LM_ID>
LMFA03030012

> <COMMON_NAME>
2,3-Dinor-TXB1

> <SYSTEMATIC_NAME>
9S,11,15S-trihydroxy-2,3-dinor-thrombox-13E-en-1-oic acid

> <FORMULA>
C18H32O6

> <MASS>
344.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,3-Dinor-Thromboxane B1

> <INCHI_KEY>
LGWCOUWMTAQMQT-QCBHMXSDSA-N

> <INCHI>
InChI=1S/C18H32O6/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/h10-11,13-16,18-20,23H,2-9,12H2,1H3,(H,21,22)/b11-10+/t13-,14-,15-,16+,18?/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165348

> <ABBREVIATION>
FA 18:2;O4

> <CAYMAN_ID>
10006330

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101668701

> <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>
10116

> <CITATION>
7938613

$$$$