Structure Database (LMSD)

Common Name
N-(15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl)-glycine methyl ester
Systematic Name
N-(15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl)-glycine methyl ester
Synonyms
LM ID
LMFA08020237
Formula
C35H65NO5
Exact Mass
Calculate m/z
579.486274
Sum Composition
NA 35:3;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

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
Pubmed ID: 29843452

String Representations

InChiKey (Click to copy)
MYRZBNIJAADTGN-XJVBFFJFSA-N
InChi (Click to copy)
InChI=1S/C35H65NO5/c1-30(2)24-20-16-12-8-6-10-14-18-22-26-32(28-33(37)36-29-35(39)40-5)41-34(38)27-23-19-15-11-7-9-13-17-21-25-31(3)4/h15,19,30-32H,6-14,16-18,20-29H2,1-5H3,(H,36,37)/b19-15-/t32-/m1/s1
SMILES (Click to copy)
C(CNC(=O)C[C@]([H])(OC(=O)CC/C=C\CCCCCCCC(C)C)CCCCCCCCCCCC(C)C)(=O)OC

Other Databases

PubChem CID
138454230

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 658.45
Topological Polar Surface Area 81.70
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 9.82
Molar Refractivity 171.68

Admin

Created at
-
Updated at
-