LMFA03030013
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.7677    7.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7677    6.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4993    6.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2282    6.5145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2282    7.3592    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4993    7.7800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9583    6.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6872    6.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6872    7.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9583    7.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4202    6.0922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1521    6.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8837    6.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6156    6.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3473    6.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0806    6.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5317    7.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2650    7.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9243    7.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4202    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4993    8.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    7.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9157    6.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.1828    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
 11 20  1  6  0  0  0
  6 21  1  6  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
  2 24  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <LM_ID>
LMFA03030013

> <COMMON_NAME>
11-dehydro-2,3-dinor-TXB2

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

> <FORMULA>
C18H28O6

> <MASS>
340.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PJAAKFHMQLYVGV-YCEKRRLLSA-N

> <INCHI>
InChI=1S/C18H28O6/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/h5-6,10-11,13-16,19-20H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14-,15-,16+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](C/C=C\CC(=O)O)[C@@H](/C=C/[C@@H](O)CCCCC)OC1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165346

> <ABBREVIATION>
FA 18:4;O4

> <CAYMAN_ID>
19510

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
35024530

> <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>
-

> <CITATION>
-

$$$$