Structure Database (LMSD)

O OH O OH HO
Common Name
1a,1b-dihomo-PGD2
Systematic Name
1a,1b-dihomo-9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid
Synonyms
  • 1a,1b-dihomo-Prostaglandin D2
LM ID
LMFA03010156
Formula
C22H36O5
Exact Mass
Calculate m/z
380.256275
Sum Composition
FA 22:4;O3
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)
GTNCJTYUJPEVBG-IBMUKCOMSA-N
InChi (Click to copy)
InChI=1S/C22H36O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-20,23-24H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,20-/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\CCCCCC(=O)O

References

Other Databases

PubChem CID
16061092

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 410.19
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.60
Molar Refractivity 107.40

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Created at
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Updated at
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