Structure Database (LMSD)
Common Name
N-(15-methyl-2,3,4-trihydroxy-hexadecanoyl)-glycine
Systematic Name
N-(15-methyl-2,3,4-trihydroxy-hexadecanoyl)-glycine
Synonyms
LM ID
LMFA08020378
Formula
Exact Mass
Calculate m/z
375.262089
Sum Composition
Status
Curated
3D model of N-(15-methyl-2,3,4-trihydroxy-hexadecanoyl)-glycine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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
Molecules, 2021
Pubmed ID:
34500631
String Representations
InChiKey (Click to copy)
JUYVPLSBMNUATE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H37NO6/c1-14(2)11-9-7-5-3-4-6-8-10-12-15(21)17(24)18(25)19(26)20-13-16(22)23/h14-15,17-18,21,24-25H,3-13H2,1-2H3,(H,20,26)(H,22,23)
SMILES (Click to copy)
OC(=O)CNC(C(O)C(O)C(O)CCCCCCCCCCC(C)C)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
Aromatic Rings
Rotatable Bonds
16
Van der Waals Molecular Volume
395.72
Topological Polar Surface Area
127.09
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
logP
2.97
Molar Refractivity
101.70
Admin
Created at
5th Nov 2021
Updated at
19th Feb 2024