LIPID MAPS

Structure Database (LMSD)

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Common Name

N-Ac-Pseudo-LTE

Systematic Name

5,8-dihydroxy-6-(S-(N-acetylcysteinyl))-octanoic acid

Synonyms

LM ID

LMFA03020095

Formula

C₁₃H₂₃NO₇S

Exact Mass

Calculate m/z

337.119525

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Radical-induced lipid oxidation produces a torrent of leukotriene-like agonists in severe asthma.,
J Allergy Clin Immunol, 2026

Pubmed ID: 41101738

DOI: 10.1016/j.jaci.2025.09.027

String Representations

InChiKey (Click to copy)

XUTRHJGSAPNHRK-WHXUTIOJSA-N

InChi (Click to copy)

InChI=1S/C13H23NO7S/c1-8(16)14-9(13(20)21)7-22-11(5-6-15)10(17)3-2-4-12(18)19/h9-11,15,17H,2-7H2,1H3,(H,14,16)(H,18,19)(H,20,21)/t9-,10?,11?/m0/s1

SMILES (Click to copy)

C(=O)(O)[C@@H](NC(C)=O)CSC(C(O)CCCC(O)=O)CCO

Calculated Physicochemical Properties

Heavy Atoms 22

Rings

Aromatic Rings

Rotatable Bonds 12

Van der Waals Molecular Volume 316.58

Topological Polar Surface Area 144.16

Hydrogen Bond Donors 5

Hydrogen Bond Acceptors 8

logP 1.10

Molar Refractivity 83.20

Admin

Created at

27th Jan 2026

Updated at