Structure Database (LMSD)
Common Name
Semiplenamide F
Systematic Name
N-(2-methyl-2S,3R-epoxy-octadecanoyl)-1-hydroxypropyl-2-amine
Synonyms
LM ID
LMFA08020281
Formula
Exact Mass
Calculate m/z
369.324294
Sum Composition
Status
Curated
3D model of Semiplenamide F
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)
WTOKUHHGBBPESF-VRAFCGOGSA-N
InChi (Click to copy)
InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22(3,26-20)21(25)23-19(2)18-24/h19-20,24H,4-18H2,1-3H3,(H,23,25)/t19?,20-,22+/m1/s1
SMILES (Click to copy)
C([C@]1(O[C@@H]1CCCCCCCCCCCCCCC)C)(=O)NC(C)CO
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
411.53
Topological Polar Surface Area
61.86
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.27
Molar Refractivity
110.31
Admin
Created at
1st Jun 2020
Updated at
1st Jun 2020