Structure Database (LMSD)

Common Name
N-oleoyl glutamic acid
Systematic Name
N-(9Z-octadecenoyl)-glutamic acid
Synonyms
LM ID
LMFA08020088
Formula
C23H41NO5
Exact Mass
Calculate m/z
411.298474
Sum Composition
NAGlu 18:1
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]
Unsaturated fatty acids [FA0103]

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)
UUFVSGRELDGPGL-QJRAZLAKSA-N
InChi (Click to copy)
InChI=1S/C23H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h9-10,20H,2-8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)/b10-9-/t20-/m0/s1
SMILES (Click to copy)
OC(=O)CC[C@]([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)C(=O)O

Other Databases

CHEBI ID
136713
PubChem CID
6913738

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 450.85
Topological Polar Surface Area 103.70
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.74
Molar Refractivity 116.40

Admin

Created at
-
Updated at
19th Feb 2024