LIPID MAPS

Structure Database (LMSD)

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Common Name

N-palmitoyl tyrosine

Systematic Name

N-hexadecanoyl-tyrosine

Synonyms

LM ID

LMFA08020098

Formula

C₂₅H₄₁NO₄

Exact Mass

Calculate m/z

419.303559

Sum Composition

NATyr 16:0

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

IPAZGTSTZYXZAT-QHCPKHFHSA-N

InChi (Click to copy)

InChI=1S/C25H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)26-23(25(29)30)20-21-16-18-22(27)19-17-21/h16-19,23,27H,2-15,20H2,1H3,(H,26,28)(H,29,30)/t23-/m0/s1

SMILES (Click to copy)

C1(C=CC(O)=CC=1)C[C@]([H])(NC(CCCCCCCCCCCCCCC)=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

HMDB ID

HMDB0062340

CHEBI ID

165561

PubChem CID

6710112

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 1

Aromatic Rings 1

Rotatable Bonds 18

Van der Waals Molecular Volume 450.76

Topological Polar Surface Area 86.63

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 6.27

Molar Refractivity 122.20

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Created at

Updated at

19th Feb 2024