Structure Database (LMSD)

Common Name
N-(15-methyl-3-hydroxy-hexadecanoyl)-glycine
Systematic Name
N-(15-methyl-3-hydroxy-hexadecanoyl)-glycine
Synonyms
LM ID
LMFA08020377
Formula
C19H37NO4
Exact Mass
Calculate m/z
343.272259
Sum Composition
NAGly 17:0;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amino acids [FA0805]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chitinophaga eiseniae (#634771)
Chitinophagia (#1853228)
Novel Glycerophospholipid, Lipo- and N-acyl Amino Acids from Bacteroidetes: Isolation, Structure Elucidation and Bioactivity.,
Molecules, 2021
Pubmed ID: 34500631

String Representations

InChiKey (Click to copy)
ROADDMALLLSXMM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H37NO4/c1-16(2)12-10-8-6-4-3-5-7-9-11-13-17(21)14-18(22)20-15-19(23)24/h16-17,21H,3-15H2,1-2H3,(H,20,22)(H,23,24)
SMILES (Click to copy)
OC(=O)CNC(CC(O)CCCCCCCCCCCC(C)C)=O

Other Databases

PubChem CID
10807342

Calculated Physicochemical Properties

Heavy Atoms 24
Rings
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 378.14
Topological Polar Surface Area 86.63
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.46
Molar Refractivity 97.90

Admin

Created at
5th Nov 2021
Updated at
19th Feb 2024