Structure Database (LMSD)

Common Name
N-(3R-(15-methyl-3-(13-methyl-tetradecanoyloxy)-hexadecanoyl)-glycyl)-L-serine methyl ester
Systematic Name
N-(3R-(15-methyl-3-(13-methyl-tetradecanoyloxy)-hexadecanoyl)-glycyl)-L-serine methyl ester
Synonyms
LM ID
LMFA08020224
Formula
C38H70N2O7
Exact Mass
Calculate m/z
666.518303
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]
Hydroxy fatty acids [FA0105]

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)
SSEOXPGJAKAHJQ-IXHFYOIQSA-N
InChi (Click to copy)
InChI=1S/C38H70N2O7/c1-31(2)24-20-16-12-8-6-10-14-18-22-26-33(28-35(42)39-29-36(43)40-34(30-41)38(45)46-5)47-37(44)27-23-19-15-11-7-9-13-17-21-25-32(3)4/h15,19,31-34,41H,6-14,16-18,20-30H2,1-5H3,(H,39,42)(H,40,43)/b19-15-/t33-,34-/m1/s1
SMILES (Click to copy)
C(CNC(=O)C[C@]([H])(OC(=O)CC/C=C\CCCCCCCC(C)C)CCCCCCCCCCCC(C)C)(=O)N[C@H](CO)C(OC)=O

Other Databases

PubChem CID
138454220

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 736.29
Topological Polar Surface Area 131.03
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 9
logP 8.87
Molar Refractivity 191.70

Admin

Created at
-
Updated at
-