Structure Database (LMSD)

H O HO O OH O OH HO
Common Name
1(3)-glyceryl-PGE2
Systematic Name
9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid 1(3)-glyceryl ester
Synonyms
  • PGE2-G
  • 1(3)-glyceryl-Prostaglandin E2
LM ID
LMFA03010186
Formula
C23H38O7
Exact Mass
Calculate m/z
426.261755
Sum Composition
FA 23:4;O5
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)
RJXVYMMSQBYEHN-LVXZDWGESA-N
InChi (Click to copy)
InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,22+/m0/s1
SMILES (Click to copy)
OCC([H])(O)COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC

References

Other Databases

CHEBI ID
90230
PubChem CID
24778489
SwissLipids ID
SLM:000501075
Cayman ID
10140

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 445.07
Topological Polar Surface Area 124.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.49
Molar Refractivity 116.08

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Created at
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Updated at
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