LMFA03030001
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0     0  0            999 V2000
   14.1009    8.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    8.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9383    7.2928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8142    7.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8142    8.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9383    9.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6920    7.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    7.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    8.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6920    9.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9383    8.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4478    7.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3273    7.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2066    7.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0861    7.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9657    7.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8452    7.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5830    8.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625    9.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3420    8.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2215    9.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4478    6.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1009    8.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8369    9.2398    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
  7 12  1  6  0  0  0
  3 12  1  6  0  0  0
  9 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
 17 18  1  0  0  0  0
 10 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 13 23  1  6  0  0  0
  1 24  2  0  0  0  0
  1 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA03030001

> <COMMON_NAME>
TXA2

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

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Thromboxane A2

> <INCHI_KEY>
DSNBHJFQCNUKMA-SCKDECHMSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1

> <SMILES>
C(O)(=O)CCC/C=C\C[C@H]1[C@H]2O[C@@H](O[C@@H]1/C=C/[C@@H](O)CCCCC)C2

> <KEGG_ID>
C02198

> <HMDB_ID>
HMDB0001452

> <CHEBI_ID>
15627

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000390041

> <PUBCHEM_COMPOUND_ID>
5280497

> <LIPIDBANK_ID>
XPR2001

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
9986

> <CITATION>
1059088

$$$$