LIPID MAPS

Structure Database (LMSD)

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Common Name

N-oleoyl glutamine

Systematic Name

N-(9Z-octadecenoyl)-glutamine

Synonyms

LM ID

LMFA08020128

Formula

C₂₃H₄₂N₂O₄

Exact Mass

Calculate m/z

410.314458

Sum Composition

NAGln 18:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

ZHVSXWCIYWYBQP-QJRAZLAKSA-N

InChi (Click to copy)

InChI=1S/C23H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28)29)18-19-21(24)26/h9-10,20H,2-8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,29)/b10-9-/t20-/m0/s1

SMILES (Click to copy)

NC(=O)CC[C@]([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)C(=O)O

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

DOI: 10.1194/jlr.M900198-JLR200

Other Databases

CHEBI ID

136615

PubChem CID

52922072

Cayman ID

28922

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 0

Aromatic Rings 0

Rotatable Bonds 20

Van der Waals Molecular Volume 453.06

Topological Polar Surface Area 109.49

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 5.15

Molar Refractivity 117.96

Admin

Created at

Updated at

19th Feb 2024