Structure Database (LMSD)

Common Name
5S,6R-DiHETE
Systematic Name
5S,6R-dihydroxy-7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060017
Status
Active
Exact Mass
Calculate m/z
336.23006
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)
UVZBUUTTYHTDRR-NSEFZGNTSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-13,15,18-19,21-22H,2-5,8,14,16-17H2,1H3,(H,23,24)/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m1/s1
SMILES (Click to copy)
C(/C=C\CCCCC)/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 376.52
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.73
Molar Refractivity 99.84

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Created at
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Updated at
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