Structure Database (LMSD)

Common Name
2-glyceryl-PGE2
Systematic Name
9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid 2-glyceryl ester
Synonyms
  • 2-glyceryl-Prostaglandin E2
LM ID
LMFA03010185
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

Classification

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

String Representations

InChiKey (Click to copy)
HJWDPZIOTMUWRW-CXZSOYKBSA-N
InChi (Click to copy)
InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,22+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(OC(CO)CO)=O

Other Databases

CHEBI ID
137172
PubChem CID
24778488

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

Admin

Created at
-
Updated at
-