Structure Database (LMSD)

Common Name
N-stearoyl serine
Systematic Name
N-octadecanoyl-serine
Synonyms
LM ID
LMFA08020102
Formula
C21H41NO4
Exact Mass
Calculate m/z
371.303559
Sum Composition
NASer18:0
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]
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)
CLHUCXCVFSEJRR-IBGZPJMESA-N
InChi (Click to copy)
InChI=1S/C21H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19(18-23)21(25)26/h19,23H,2-18H2,1H3,(H,22,24)(H,25,26)/t19-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(CCCCCCCCCCCCCCCCC)=O)C(=O)O

Other Databases

CHEBI ID
165572
PubChem CID
6453688

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 412.74
Topological Polar Surface Area 86.63
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.38
Molar Refractivity 107.20

Admin

Created at
-
Updated at
19th Feb 2024