Structure Database (LMSD)

Common Name
16,17-DiHDPE
Systematic Name
(+/-)-16,17-dihydroxy-4Z,7Z,10Z,13Z,19Z-docosapentaenoic acid
Synonyms
LM ID
LMFA04000042
Formula
Exact Mass
Calculate m/z
362.24571
Sum Composition
Status
Active

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

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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