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
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
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Okeania hirsuta
(#1458930)
Cyanophyceae
(#3028117)
Okeanic acid-A, a trihydroxy fatty acid from the Okinawan cyanobacterium Okeania hirsuta.,
Nat Prod Res, 2024
Nat Prod Res, 2024
Pubmed ID:
38300791
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
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