LMFA03010063
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0  0  0  0  0  0  0  0999 V2000
    6.6020    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6020    7.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8113    7.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3226    6.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8113    6.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9946    7.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9946    6.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7146    5.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4346    6.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1546    5.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8747    6.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5946    5.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3147    6.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8260    7.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5460    7.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2660    7.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9860    7.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7060    7.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4260    7.6510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7060    6.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1309    5.2502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2956    5.2475    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  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
  3 16  2  0  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
  5 24  1  6  0  0  0
 10 25  1  1  0  0  0
 10 26  1  6  0  0  0
M  END
> <LM_ID>
LMFA03010063

> <COMMON_NAME>
15-methyl-15R-PGE2

> <SYSTEMATIC_NAME>
9-oxo-11R,15R-dihydroxy-15-methyl-5Z,13E-prostadienoic acid

> <FORMULA>
C21H34O5

> <MASS>
366.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15-methyl-15R-Prostaglandin E2

> <INCHI_KEY>
XSGQFHNPNWBVPT-VFXMVCAWSA-N

> <INCHI>
InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-17,19,23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,19-,21-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184592

> <ABBREVIATION>
FA 21:4;O3

> <CAYMAN_ID>
14725

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283064

> <LIPIDBANK_ID>
XPR1745

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$