Structure Database (LMSD)

N H O O O OH
Common Name
PGH2-EA
Systematic Name
N-(9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoyl)-ethanolamine
Synonyms
  • Prostaglandin H2-EA
  • Prostamine-H2
  • PMH2
LM ID
LMFA03010219
Formula
C23H39NO4
Exact Mass
Calculate m/z
393.287909
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

String Representations

InChiKey (Click to copy)
NBFLONVHOGNRHY-YNRDDPJXSA-N
InChi (Click to copy)
InChI=1S/C23H39NO4/c1-3-5-8-11-18(25)14-15-20-19(21-17-22(20)28-27-21)12-9-6-7-10-13-23(26)24-16-4-2/h6,9,14-15,18-22,25H,3-5,7-8,10-13,16-17H2,1-2H3,(H,24,26)/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@@H]2OO[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)NCCC

References

Other Databases

CHEBI ID
165337
PubChem CID
53477457

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 2
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 419.98
Topological Polar Surface Area 71.93
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.61
Molar Refractivity 113.57

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Created at
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Updated at
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