LMFA03010122
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0  0  0  0  0  0  0  0999 V2000
    6.6017    6.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6017    7.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8112    7.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3227    6.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8112    6.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    7.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    5.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    6.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    5.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4335    6.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1533    5.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8731    6.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5929    5.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3128    6.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8251    7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5449    7.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2647    7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9845    7.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7043    7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4241    7.6434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7043    6.5629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1260    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1439    7.2278    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  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
  5 24  1  6  0  0  0
 10 25  1  6  0  0  0
 10 26  1  1  0  0  0
 22 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010122

> <COMMON_NAME>
15-methyl-15R-PGF2alpha methyl ester

> <SYSTEMATIC_NAME>
methyl 9S,11R,15S-trihydroxy-15-methyl-5Z,13E-prostadienoate

> <FORMULA>
C22H38O5

> <MASS>
382.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15-methyl-15R-Prostaglandin F2alpha methyl ester

> <INCHI_KEY>
QQCOAAFKJZXJFP-XAYIDPIISA-N

> <INCHI>
InChI=1S/C22H38O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h6,8,13,15,17-20,23-24,26H,4-5,7,9-12,14,16H2,1-3H3/b8-6-,15-13+/t17-,18-,19+,20-,22+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
191260

> <ABBREVIATION>
FA 22:3;O3

> <CAYMAN_ID>
16744

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283105

> <LIPIDBANK_ID>
XPR1793

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$