Structure Database (LMSD)

O OH HO OH HO
Common Name
1a,1b-dihomo-PGF2alpha
Systematic Name
1a,1b-dihomo-9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid
Synonyms
  • 1a,1b-dihomo-Prostaglandin F2alpha
  • (11S,13R,17S)-17-F2-dihomo-IsoP[10R,14R]
  • 10-epi-17-F2t-dihomo-IsoP
LM ID
LMFA03010157
Formula
C22H38O5
Exact Mass
Calculate m/z
382.271925
Sum Composition
FA 22:3;O3
Status
Active
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Main

Classification

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

String Representations

InChiKey (Click to copy)
ZCTAOAWRUXSOQF-GWSKAPOCSA-N
InChi (Click to copy)
InChI=1S/C22H38O5/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/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,20-,21+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCCCC(=O)O

References

Other Databases

CHEBI ID
183014
PubChem CID
6443812
Cayman ID
16050

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 412.83
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.68
Molar Refractivity 108.91

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Created at
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Updated at
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