LMFA03010037
  LIPID_MAPS_STRUCTURE_DATABASE

 30 30  0  0  0  0  0  0  0  0999 V2000
    8.7378   -7.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7378   -6.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7687   -6.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1698   -6.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7687   -7.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5620   -5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4446   -6.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3271   -5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2093   -6.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0918   -5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9741   -6.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8568   -5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5620   -8.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4446   -7.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3271   -8.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2093   -7.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0918   -8.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9741   -7.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8568   -8.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7390   -7.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538   -5.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7390   -6.3385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8568   -4.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3271   -9.0648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538   -8.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4446   -7.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5507   -4.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5695   -4.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7518   -7.1252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5924   -7.1252    0.0000 H   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
  3 21  1  6  0  0  0
 12 22  1  0  0  0  0
 12 23  2  0  0  0  0
 15 24  1  6  0  0  0
  5 25  1  6  0  0  0
  7 26  2  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
M  ISO  4  27   2  28   2  29   2  30   2
M  END
> <LM_ID>
LMFA03010037

> <COMMON_NAME>
6keto-PGF1alpha-d4

> <SYSTEMATIC_NAME>
9S,11R,15S-trihydroxy-6-oxo-13E-prostenoic acid (3,3,4,4-d4)

> <FORMULA>
C20H34O6

> <MASS>
374.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6k-Prostaglandin F1alpha-d4; 6k-PGF1alpha-d4; 6keto-Prostaglandin F1alpha-d4

> <INCHI_KEY>
KFGOFTHODYBSGM-GKZGVFJGSA-N

> <INCHI>
InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1/i5D2,6D2

> <SMILES>
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CC([2H])([2H])C([2H])([2H])CC(=O)O

> <KEGG_ID>
C05961

> <HMDB_ID>
HMDB02886

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
315210

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283044

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$