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

Other Databases

PubChem CID

178328118

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