LIPID MAPS

Structure Database (LMSD)

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Common Name

N-palmitoyl threonine

Systematic Name

N-hexadecanoyl-threonine

Synonyms

LM ID

LMFA08020107

Formula

C₂₀H₃₉NO₄

Exact Mass

Calculate m/z

357.287909

Sum Composition

NAThr 16L0

Status

Active

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)

JOIXCEREMHWULC-MJGOQNOKSA-N

InChi (Click to copy)

InChI=1S/C20H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23)21-19(17(2)22)20(24)25/h17,19,22H,3-16H2,1-2H3,(H,21,23)(H,24,25)/t17-,19+/m1/s1

SMILES (Click to copy)

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

Other Databases

CHEBI ID

165559

PubChem CID

14239842

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 0

Aromatic Rings 0

Rotatable Bonds 17

Van der Waals Molecular Volume 395.44

Topological Polar Surface Area 86.63

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 4.99

Molar Refractivity 102.58

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Created at

Updated at

19th Feb 2024