Structure Database (LMSD)
Common Name
(7R,11R,14S)-d8-10-NeuroF[10R,13S]
Systematic Name
(R,4Z,8E)-7-hydroxy-9-((2R,3R,5S)-3-hydroxy-5-((S,3Z,6Z)-1-hydroxynona-3,6-dien-1-yl)tetrahydrofuran-2-yl)nona-4,8-dienoic acid
Synonyms
LM ID
LMFA04020183
Formula
Exact Mass
Calculate m/z
394.23554
Sum Composition
Status
Active (generated by computational methods)
3D model of (7R,11R,14S)-d8-10-NeuroF[10R,13S]
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)
RLXRILUWBRCHLM-AJKNYCCNSA-N
InChi (Click to copy)
InChI=1S/C22H34O6/c1-2-3-4-5-6-9-12-18(24)21-16-19(25)20(28-21)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+/t17-,18+,19-,20-,21+/m1/s1
SMILES (Click to copy)
C(CC/C=C\C[C@@H](O)/C=C/[C@@]1([H])O[C@]([H])([C@@H](O)C/C=C\C/C=C\CC)C[C@H]1O)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
416.34
Topological Polar Surface Area
109.29
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
4.33
Molar Refractivity
111.43
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Created at
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Updated at
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