LIPID MAPS

Structure Database (LMSD)

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Common Name

N-palmitoyl glutamic acid

Systematic Name

N-hexadecanoyl-glutamic acid

Synonyms

LM ID

LMFA08020087

Formula

C₂₁H₃₉NO₅

Exact Mass

Calculate m/z

385.282824

Sum Composition

NAGlu 16:0

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)

KMAOMYOPEIRFLB-SFHVURJKSA-N

InChi (Click to copy)

InChI=1S/C21H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(26)27)16-17-20(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1

SMILES (Click to copy)

OC(=O)CC[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)C(=O)O

Other Databases

CHEBI ID

165551

PubChem CID

161955

PDB ID

D6M

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 0

Aromatic Rings 0

Rotatable Bonds 19

Van der Waals Molecular Volume 418.89

Topological Polar Surface Area 103.70

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 5

logP 5.19

Molar Refractivity 107.26

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Created at

Updated at

19th Feb 2024