LMFA03010010
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0     0  0            999 V2000
    8.2190    7.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2190    8.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    9.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6743    8.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    7.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0312    9.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9004    9.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0312    7.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9004    7.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7699    7.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6392    7.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5085    7.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3778    7.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2473    7.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1166    7.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7699    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9043    9.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7736    9.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6431    9.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5123    9.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3817    9.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2510    9.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3817    8.2433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.9041    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  1  1  0  0  0  0
  2  6  1  6  0  0  0
  6  7  1  0  0  0  0
  1  8  1  1  0  0  0
  8  9  2  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  1  6  0  0  0
  7 17  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  3 24  1  6  0  0  0
  5 25  1  6  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010010

> <COMMON_NAME>
PGH2

> <SYSTEMATIC_NAME>
9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prostaglandin H2

> <INCHI_KEY>
YIBNHAJFJUQSRA-YNNPMVKQSA-N

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

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

> <KEGG_ID>
C00427

> <HMDB_ID>
HMDB0001381

> <CHEBI_ID>
15554

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
17020

> <SWISSLIPIDS_ID>
SLM:000000426

> <PUBCHEM_COMPOUND_ID>
445049

> <LIPIDBANK_ID>
XPR1798

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9940

> <CITATION>
4521806

$$$$