Structure Database (LMSD)

HO OH O OH O
Common Name
11-beta-PGE1
Systematic Name
9-oxo-11S,15S-dihydroxy-13E-prostaenoic acid
Synonyms
  • 11-beta-Prostaglandin E1
LM ID
LMFA03010106
Formula
C20H34O5
Exact Mass
Calculate m/z
354.240625
Sum Composition
FA 20:3;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)
GMVPRGQOIOIIMI-FZYGRIMQSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

References

Other Databases

LIPIDBANK ID
XPR1776
PubChem CID
5283098
Cayman ID
13450

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 378.23
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.05
Molar Refractivity 98.26

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Created at
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Updated at
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