Structure Database (LMSD)
Common Name
20-hydroxy-PGD2
Systematic Name
9S,15S,20-trihydroxy-11-oxo-5Z,13E-prostadienoic acid
Synonyms
LM ID
LMFA03010216
Formula
Exact Mass
Calculate m/z
368.21989
Sum Composition
Status
Active
3D model of 20-hydroxy-PGD2
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
NHVNZXCFDPPHDO-UYFMDZAVSA-N
InChi (Click to copy)
InChI=1S/C20H32O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-18,21-23H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,18-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCCO)C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
Other Databases
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
115.06
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.08
Molar Refractivity
100.07
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Created at
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Updated at
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