Structure Database (LMSD)

OH HO HO O O O O
Common Name
2-glyceryl-PGH2
Systematic Name
9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid 2-glyceryl ester
Synonyms
  • 2-glyceryl-Prostaglandin H2
LM ID
LMFA03010189
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)
XWDRGTGPJCBPGC-PKBBWAGBSA-N
InChi (Click to copy)
InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-18(15-24)16-25/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,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)OC(CO)CO

References

Other Databases

HMDB ID
HMDB0062663
CHEBI ID
85166
PubChem CID
24778491
SwissLipids ID
SLM:000390175

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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