Structure Database (LMSD)

HO HO HO O O O OH
Common Name
2-glyceryl-PGD2
Systematic Name
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid 2-glyceryl ester
Synonyms
  • 2-glyceryl-Prostaglandin D2
LM ID
LMFA03010183
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)
OCYWGBZEVKVWBQ-PQGWWSFGSA-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/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(OC(CO)CO)=O

References

Other Databases

CHEBI ID
133979
PubChem CID
24778486

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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