Structure Database (LMSD)

Common Name
N-palmitoyl serine
Systematic Name
N-hexadecanoyl-serine
Synonyms
LM ID
LMFA08020101
Formula
C19H37NO4
Exact Mass
Calculate m/z
343.272259
Sum Composition
NASer 16:0
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]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Identification of endogenous acyl amino acids based on a targeted lipidomics approach.,
J Lipid Res, 2010
Pubmed ID: 19584404

String Representations

InChiKey (Click to copy)
BFVRFWIQTACAPT-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24)/t17-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)C(=O)O

Other Databases

CHEBI ID
165558
PubChem CID
6453686

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 378.14
Topological Polar Surface Area 86.63
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.60
Molar Refractivity 97.97

Admin

Created at
-
Updated at
19th Feb 2024