LMFA03010044
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0     0  0            999 V2000
    8.2042    7.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042    8.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2568    9.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6712    8.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2568    7.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    9.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8728    9.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7354    9.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    9.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4608    9.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3235    9.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1862    9.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    7.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8728    7.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7354    7.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    7.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4608    7.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3235    7.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1862    7.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0489    7.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0489    9.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1862   10.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7354    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    8.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.8922    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
  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
  1 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
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  2  0  0  0  0
 15 23  1  6  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>
LMFA03010044

> <COMMON_NAME>
PGH1

> <SYSTEMATIC_NAME>
9S,11R-epidioxy-15S-hydroxy-13E-prostaenoic acid

> <FORMULA>
C20H34O5

> <MASS>
354.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prostaglandin H1; PGR1; Prostaglandin R1

> <INCHI_KEY>
NTAYABHEVAQSJS-CDIPTNKSSA-N

> <INCHI>
InChI=1S/C20H34O5/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/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/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]1CCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
91133

> <ABBREVIATION>
FA 20:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000501235

> <PUBCHEM_COMPOUND_ID>
5283048

> <LIPIDBANK_ID>
XPR1724

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
4776443

$$$$