Structure Database (LMSD)

H O O O O OH OH HO
Common Name
1(3)-glyceryl-PGH2
Systematic Name
9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid 1(3)-glyceryl ester
Synonyms
  • PGH2-G
  • 1(3)-glyceryl-Prostaglandin H2
LM ID
LMFA03010190
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)
ITTYJJFCGKAYRE-OMVDPNNKSA-N
InChi (Click to copy)
InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-16-18(26)15-24/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,21-,22+/m0/s1
SMILES (Click to copy)
OCC([H])(O)COC(=O)CCC/C=C\C[C@H]1[C@H]2OO[C@@H]([C@@H]1/C=C/[C@@H](O)CCCCC)C2

References

Other Databases

PubChem CID
24778492

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 435.35
Topological Polar Surface Area 109.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 4.55
Molar Refractivity 115.32

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Created at
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Updated at
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