Structure Database (LMSD)

Common Name
15-keto-PGE1
Systematic Name
9,15-dioxo-11R-hydroxy-13E-prostaenoic acid
Synonyms
  • 15-keto-Prostaglandin E1
LM ID
LMFA03010146
Formula
C20H32O5
Exact Mass
Calculate m/z
352.224975
Sum Composition
FA 20:4;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
VXPBDCBTMSKCKZ-XQHNHVHJSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/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/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/C(=O)CCCCC)[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

Other Databases

KEGG ID
C04654
HMDB ID
HMDB0001320
CHEBI ID
15548
LIPIDBANK ID
XPR1709
PubChem CID
5280710
SwissLipids ID
SLM:000390039
Cayman ID
13680

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 375.59
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.97
Molar Refractivity 96.75

Admin

Created at
-
Updated at
-