Structure Database (LMSD)

Common Name
12-epi-14-F2t-dihomo-IsoP
Systematic Name
1a,1b-dihomo-8S,10R,14R-trihydroxy-12E,16Z-prostadienoic acid-cyclo[7S,11R]
Synonyms
  • (8S,10R,14R)-14-F2-dihomo-IsoP[7S,11R]
LM ID
LMFA03110327
Formula
C22H38O5
Exact Mass
Calculate m/z
382.271925
Sum Composition
FA 22:3;O3
Status
Active (generated by computational methods)
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Isoprostanes [FA0311]

String Representations

InChiKey (Click to copy)
GAAQHTDEQARKTH-JJVHFVNWSA-N
InChi (Click to copy)
InChI=1S/C22H38O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h6,8,14-15,17-21,23-25H,2-5,7,9-13,16H2,1H3,(H,26,27)/b8-6-,15-14+/t17-,18+,19-,20+,21-/m1/s1
SMILES (Click to copy)
C(CCCCC[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCCC)(=O)O

Other Databases

PubChem CID
134812223

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

Admin

Created at
-
Updated at
-