LMFA03010192
  LIPID_MAPS_STRUCTURE_DATABASE

 30 30  0     0  0            999 V2000
    8.0009    7.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0009    8.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0435    9.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    8.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0435    7.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8154    9.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6873    9.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8154    7.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6873    7.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5591    7.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4309    7.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3029    7.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1746    7.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0465    7.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9185    7.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   10.2342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5591    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6940    9.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5657    9.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4378    9.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3096    9.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1815    9.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0533    9.5573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1815    8.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9251    9.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7970    9.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9251    8.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7970    7.5440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6686    9.0539    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  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
  5 25  1  6  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010192

> <COMMON_NAME>
PGE2-dihydroxypropanylamine

> <SYSTEMATIC_NAME>
N-(1,3-dihydroxypropan-2-yl)-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoyl amine

> <FORMULA>
C23H39NO6

> <MASS>
425.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prostaglandin E2-dihydroxypropanylamine; Prostaglandin E2 serinol amide; PGE2-SA

> <INCHI_KEY>
QJOORAQHWWTUIP-HIGMCGMBSA-N

> <INCHI>
InChI=1S/C23H39NO6/c1-2-3-6-9-18(27)12-13-20-19(21(28)14-22(20)29)10-7-4-5-8-11-23(30)24-17(15-25)16-26/h4,7,12-13,17-20,22,25-27,29H,2-3,5-6,8-11,14-16H2,1H3,(H,24,30)/b7-4-,13-12+/t18-,19+,20+,22+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186482

> <ABBREVIATION>
-

> <CAYMAN_ID>
10193

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24778494

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
20152925

$$$$