Structure Database (LMSD)
Common Name
Dinor-PGD2
Systematic Name
2,3-dinor-9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid
Synonyms
LM ID
LMFA03010214
Formula
Exact Mass
Calculate m/z
324.193675
Sum Composition
Status
Active
3D model of Dinor-PGD2
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)
FZIZOWJGWYHKEL-BVWFDSDTSA-N
InChi (Click to copy)
InChI=1S/C18H28O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-16,19-20H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15+,16-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)C(=O)C[C@H](O)[C@@H]1C/C=C\CC(O)=O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
340.99
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.04
Molar Refractivity
88.93
Admin
Created at
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Updated at
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