Structure Database (LMSD)

Common Name
16,17-DiHDPE
Systematic Name
(+/-)-16,17-dihydroxy-4Z,7Z,10Z,13Z,19Z-docosapentaenoic acid
Synonyms
LM ID
LMFA04000042
Status
Active
Exact Mass
Calculate m/z
362.24571
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)
YXQCSWUATWXVGK-ZYADFMMDSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20-21,23-24H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5-,8-6-,13-11-,14-3-,15-12-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(O)C/C=C\CC)(=O)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 408.48
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.29
Molar Refractivity 108.98

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Created at
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Updated at
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