LMFA03010078
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
    8.0032    7.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032    8.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0442    9.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4514    8.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0442    7.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8189    9.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8189    7.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5656    7.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4389    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3121    7.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1854    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0587    7.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9321    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   10.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5656    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7006    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5739    9.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4472    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3204    9.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0671    9.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938    8.2518    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
  3 16  1  6  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
M  END
> <LM_ID>
LMFA03010078

> <COMMON_NAME>
11-deoxy-PGF2a

> <SYSTEMATIC_NAME>
9S,15S-dihydroxy-5Z,13E-prostadienoic acid

> <FORMULA>
C20H34O4

> <MASS>
338.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11-deoxy-Prostaglandin F2a

> <INCHI_KEY>
YRFLKMLJQWGIIZ-APRRXLQMSA-N

> <INCHI>
InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+,19-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165303

> <ABBREVIATION>
FA 20:3;O2

> <CAYMAN_ID>
16500

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283079

> <LIPIDBANK_ID>
XPR1760

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
6286023

$$$$