Structure Database (LMSD)

Common Name
11-deoxy-PGF1b
Systematic Name
9R,15S-dihydroxy-13E-prostaenoic acid
Synonyms
  • 11-deoxy-Prostaglandin F1b
LM ID
LMFA03010070
Formula
Exact Mass
Calculate m/z
340.261361
Sum Composition
Status
Curated

Classification

Biological Context

11-deoxy Prostaglandin F1β (11-deoxy PGF1β) is a synthetic analog of PGF1β. In contrast to PGF2α and PGF1α, 11-deoxy PGF1β exhibits vasodepressor and bronchodilator activities in guinea pigs at a dose of 500 µg/kg.1

This information has been provided by Cayman Chemical

References

1. Hall, D.W.R., and Jaitly, K.D. Structure-activity relationships in a series of 11-deoxy prostaglandins. Prostaglandins 11(3), 573-587 (1976).

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
No citation found

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

Other Databases

CHEBI ID
LIPIDBANK ID
XPR1752
PubChem CID
Cayman ID

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
13th Mar 2025