Structure Database (LMSD)
Common Name
6-keto PGE1
Systematic Name
6,9-dioxo-11R,15S-dihydroxy-13E-prostenoic acid
Synonyms
- 6-keto Prostaglandin E1
LM ID
LMFA03010012
Formula
Exact Mass
Calculate m/z
368.21989
Sum Composition
Status
Active
3D model of 6-keto PGE1
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ROUDCKODIMKLNO-CTBSXBMHSA-N
InChi (Click to copy)
InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O
References
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1430
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
384.38
Topological Polar Surface Area
111.90
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
3.23
Molar Refractivity
98.65
Admin
Created at
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Updated at
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