LMFA03010233
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    8.0027    7.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0027    8.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440    9.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4515    8.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440    7.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8183    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8183    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5644    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4374    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3105    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1834    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0565    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9296    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5644    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6993    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5724    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4456    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3186    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1915    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0646    9.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1915    8.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9306    9.0617    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
 10 17  1  6  0  0  0
  7 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0     0  0
M  END
> <LM_ID>
LMFA03010233

> <COMMON_NAME>
11-deoxyprostaglandin E2 methyl ester

> <SYSTEMATIC_NAME>
Methyl 15S-hydroxy-5Z,13E-prostadienoate

> <FORMULA>
C21H34O4

> <MASS>
350.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TWECVLQAVWUYGO-PMPHTVEESA-N

> <INCHI>
InChI=1S/C21H34O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h5,8,13,15,17-19,22H,3-4,6-7,9-12,14,16H2,1-2H3/b8-5-,15-13+/t17-,18-,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 21:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15659534

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
172976

> <CITATION>
18220352

$$$$