Structure Database (LMSD)

OH O OH HO
Common Name
11-deoxy-PGF1b
Systematic Name
9R,15S-dihydroxy-13E-prostaenoic acid
Synonyms
  • 11-deoxy-Prostaglandin F1b
LM ID
LMFA03010070
Formula
C20H36O4
Exact Mass
Calculate m/z
340.26136
Sum Composition
FA 20:2;O2
Status
Active
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Classification

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

String Representations

InChiKey (Click to copy)
HYBPXYQCXNOTFK-JLNUFZAQSA-N
InChi (Click to copy)
InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)CC[C@@H](O)[C@@H]1CCCCCCC(=O)O

References

Other Databases

CHEBI ID
168703
LIPIDBANK ID
XPR1752
PubChem CID
5283071
Cayman ID
15510

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 372.08
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.87
Molar Refractivity 97.87

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Created at
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Updated at
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