Structure Database (LMSD)
Common Name
Okeanic acid A
Systematic Name
11S,14R,15S-trihydroxyeicosa-5Z,8Z,12E,17Z-tetraenoic acid
Synonyms
LM ID
LMFA03060121
Formula
Exact Mass
Calculate m/z
352.224975
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Okeanic acid A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GZQLVQZPCXQLAS-OYLNYSRPSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h3-4,6-7,9-10,15-19,21-23H,2,5,8,11-14H2,1H3,(H,24,25)/b6-4-,9-3-,10-7-,16-15+/t17-,18-,19+/m0/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C[C@H](O)/C=C/[C@@H](O)[C@@H](O)C/C=C\CC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Okeania hirsuta
(#1458930)
Okeanic acid-A, a trihydroxy fatty acid from the Okinawan cyanobacterium Okeania hirsuta.,
Nat Prod Res, 2024
Nat Prod Res, 2024
Pubmed ID:
38300791
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
Aromatic Rings
Rotatable Bonds
14
Van der Waals Molecular Volume
385.31
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.99
Molar Refractivity
101.75
Admin
Created at
17th Feb 2024
Updated at
17th Feb 2024