Structure Database (LMSD)
Common Name
N-(15-methyl-3-(12-methyl-tridecanoyloxy)-hexadecanoyl)-glycine
Systematic Name
N-(15-methyl-3-(12-methyltridecanoyloxy)-hexadecanoyl)-glycine
Synonyms
LM ID
LMFA08020236
Formula
Exact Mass
Calculate m/z
539.491359
Sum Composition
Status
Curated
3D model of N-(15-methyl-3-(12-methyl-tridecanoyloxy)-hexadecanoyl)-glycine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Aequorivita sp.
(#1872390)
Flavobacteriia
(#117743)
Linear Aminolipids with Moderate Antimicrobial Activity from the Antarctic Gram-Negative Bacterium Aequorivita sp.,
Mar Drugs, 2018
Mar Drugs, 2018
Pubmed ID:
29843452
DOI:
10.3390/md16060187
String Representations
InChiKey (Click to copy)
PRINJPAYVNUVQA-WJOKGBTCSA-N
InChi (Click to copy)
InChI=1S/C33H65NO4/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(35)34-28-33(36)37)38-26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-31H,5-28H2,1-4H3,(H,34,35)(H,36,37)/t31-/m1/s1
SMILES (Click to copy)
C(CNC(=O)C[C@]([H])(OCCCCCCCCCCCC(C)C)CCCCCCCCCCCC(C)C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
29
Van der Waals Molecular Volume
620.34
Topological Polar Surface Area
75.63
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
10.32
Molar Refractivity
163.13
Admin
Created at
-
Updated at
8th Sep 2020