Structure Database (LMSD)
Common Name
Leiopathic acid
Systematic Name
10R-hydroxy-7Z,11E,13Z,16Z,19Z-docosapentaenoic acid
Synonyms
3D model of Leiopathic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Leiopathes
(#2640970)
Anthozoa
(#6101)
Leiopathic Acid, a Novel Optically Active Hydroxydocosapentaenoic Acid, and related compounds, from the black coral Leiopathes sp. of Saint Paul Island (S. Indian Ocean),
Helv. Chim. Acta, 1988
Helv. Chim. Acta, 1988
String Representations
InChiKey (Click to copy)
MGUZOUCQDDHSGO-RFPXNJKWSA-N
InChi (Click to copy)
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-12-15-18-21(23)19-16-13-10-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18,21,23H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,16-13-,18-15+/t21-/m0/s1
SMILES (Click to copy)
C(CCCCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
399.69
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.03
Molar Refractivity
107.08
Admin
Created at
29th Oct 2020
Updated at
29th Oct 2020