Structure Database (LMSD)

Common Name
15R-HEDE
Systematic Name
15R-hydroxy-11Z-13E-eicosadienoic acid
Synonyms
LM ID
LMFA03000008
Status
Active
Exact Mass
Calculate m/z
324.266445
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ZTRWPEHMGCHTIT-BABDSNKVSA-N
InChi (Click to copy)
InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+/t19-/m1/s1
SMILES (Click to copy)
C(C/C=C\C=C\[C@H](O)CCCCC)CCCCCCCC(=O)O

References

Other Databases

PubChem CID
Cayman ID

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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