Structure Database (LMSD)

Common Name
N-palmitoyl methionine
Systematic Name
N-hexadecanoyl-methionine
Synonyms
LM ID
LMFA08020109
Formula
C21H41NO3S
Exact Mass
Calculate m/z
387.280716
Sum Composition
NAMet 16:0
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]
Fatty Acids and Conjugates [FA01]
Thia fatty acids [FA0113]

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)
FCVASHHBGGKTGT-IBGZPJMESA-N
InChi (Click to copy)
InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18-26-2/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1
SMILES (Click to copy)
C(SC)C[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)C(=O)O

Other Databases

CHEBI ID
190106
PubChem CID
486207
PDB ID
EPM

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 422.46
Topological Polar Surface Area 66.40
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.36
Molar Refractivity 113.88

Admin

Created at
-
Updated at
19th Feb 2024