Structure Database (LMSD)

O OH OH HO
Common Name
11-deoxy-PGF2a
Systematic Name
9S,15S-dihydroxy-5Z,13E-prostadienoic acid
Synonyms
  • 11-deoxy-Prostaglandin F2a
LM ID
LMFA03010078
Formula
C20H34O4
Exact Mass
Calculate m/z
338.24571
Sum Composition
FA 20:3;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View lipid standard

Main

Classification

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

String Representations

InChiKey (Click to copy)
YRFLKMLJQWGIIZ-APRRXLQMSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/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/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/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]1C/C=C\CCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Antagonism of the thromboxane-sensitive contractile systems of the rabbit aorta, dog saphenous vein and guinea-pig trachea.,
Br J Pharmacol, 1982
Pubmed ID: 6286023

Other Databases

CHEBI ID
165303
LIPIDBANK ID
XPR1760
PubChem CID
5283079
Cayman ID
16500

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 369.44
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.64
Molar Refractivity 97.78

Admin

Created at
-
Updated at
20th Jun 2024