LMFA03010249
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
    7.2041    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2041    2.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    2.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5733    1.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0615    2.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9794    2.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0615    0.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9794    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8973    0.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8150    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7328    0.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6505    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5684    0.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4863    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8689    3.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8973   -0.4619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0392    2.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9569    2.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9011    2.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7927    2.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7103    2.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6282    2.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7103    1.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8689   -0.1147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5844    1.8741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5331    1.9530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4839    3.3501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563    3.3501    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
  1  8  1  1  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
 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  2  0  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
  5 25  1  6  0  0  0
 20 26  1  0     0  0
 20 27  1  0     0  0
 19 28  1  0     0  0
 19 29  1  0     0  0
M  ISO  4  26   2  27   2  28   2  29   2
M  END
> <LM_ID>
LMFA03010249

> <COMMON_NAME>
13,14-dihydro-15-keto-PGE2-d4

> <SYSTEMATIC_NAME>
9,15-dioxo-11R-hydroxy-5Z-prostenoic 3,3,4,4-d4 acid

> <FORMULA>
C20H28D4O5

> <MASS>
356.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
13,14-dihydro-15-keto-Prostaglandin E2-d4; 9,15-dioxo-11alpha-hydroxy-prost-5Z-en-1-oic-3,3,4,4-d4 acid

> <INCHI_KEY>
CUJMXIQZWPZMNQ-BQWYWOLISA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1/i5D2,8D2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
10010606

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71684622

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Carbocyclic fatty acids [FA0114]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$