Structure Database (LMSD)

Common Name
N-(3R-(15-methyl-3-(13-methyl-tetradecenoyloxy)-hexadecanoyl)-glycyl)-L-serine
Systematic Name
N-(3R-(15-methyl-3-(13-methyl-tetradecenoyloxy)-hexadecanoyl)-glycyl)-L-serine
Synonyms
LM ID
LMFA08020223
Formula
C37H68N2O7
Exact Mass
Calculate m/z
652.502653
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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]

String Representations

InChiKey (Click to copy)
SFBPGKGOOXACGN-HIFRIXKDSA-N
InChi (Click to copy)
InChI=1S/C37H68N2O7/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-32(27-34(41)38-28-35(42)39-33(29-40)37(44)45)46-36(43)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h14,18,30-33,40H,5-13,15-17,19-29H2,1-4H3,(H,38,41)(H,39,42)(H,44,45)/b18-14-/t32-,33-/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(O)=O

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

Other Databases

PubChem CID
138454219

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 718.99
Topological Polar Surface Area 142.03
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 8.78
Molar Refractivity 187.32

Admin

Created at
-
Updated at
-