Structure Database (LMSD)
Common Name
Semiplenamide G
Systematic Name
N-(2-methyl-2S,3R-epoxy-octadecanoyl)-1-methyl-2-acetoxyethylamine
Synonyms
LM ID
LMFA08020280
Formula
Exact Mass
Calculate m/z
411.334859
Sum Composition
Status
Active
3D model of Semiplenamide G
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
Lyngbya semiplena
(#207923)
Cyanophyceae
(#3028117)
Semiplenamides A-G, fatty acid amides from a Papua New Guinea collection of the marine cyanobacterium Lyngbya semiplena.,
J Nat Prod, 2003
J Nat Prod, 2003
Pubmed ID:
14575438
String Representations
InChiKey (Click to copy)
MILXVDLKZSMGBO-ZUBLCLOHSA-N
InChi (Click to copy)
InChI=1S/C24H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24(4,29-22)23(27)25-20(2)19-28-21(3)26/h20,22H,5-19H2,1-4H3,(H,25,27)/t20?,22-,24+/m1/s1
SMILES (Click to copy)
C([C@]1(O[C@@H]1CCCCCCCCCCCCCCC)C)(=O)NC(C)COC(=O)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
1
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
452.28
Topological Polar Surface Area
67.93
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
6.84
Molar Refractivity
119.85
Admin
Created at
1st Jun 2020
Updated at
1st Jun 2020