Structure Database (LMSD)

Systematic Name
N-(3-Hydroxytetradecanoyl) glycine
Synonyms
LM ID
LMFA08020332
Formula
C16H31NO4
Exact Mass
Calculate m/z
301.225309
Sum Composition
NAGly 14:0;O
Status
Active
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
Phocaeicola vulgatus (#821)
Bacteroidia (#200643)
Functional metagenomic discovery of bacterial effectors in the human microbiome and isolation of commendamide, a GPCR G2A/132 agonist.,
Proc Natl Acad Sci U S A, 2015
Pubmed ID: 26283367

String Representations

InChiKey (Click to copy)
JOZKALVPSJDERT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-14(18)12-15(19)17-13-16(20)21/h14,18H,2-13H2,1H3,(H,17,19)(H,20,21)
SMILES (Click to copy)
C(CC(O)CCCCCCCCCCC)(=O)NCC(=O)O

Other Databases

PubChem CID
85197100

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 326.24
Topological Polar Surface Area 86.63
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.43
Molar Refractivity 84.12

Admin

Created at
6th May 2021
Updated at
19th Feb 2024