Structure Database (LMSD)
Common Name
11S-HEDE
Systematic Name
11S-hydroxy-12E,14Z-eicosadienoic acid
Synonyms
3D model of 11S-HEDE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
HDMIRVFIVOGVIC-HVLYWLSYSA-N
InChi (Click to copy)
InChI=1S/C20H36O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h7,10,13,16,19,21H,2-6,8-9,11-12,14-15,17-18H2,1H3,(H,22,23)/b10-7-,16-13+/t19-/m1/s1
SMILES (Click to copy)
C(C[C@H](O)/C=C/C=C\CCCCC)CCCCCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
373.01
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.92
Molar Refractivity
98.13
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Created at
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Updated at
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