LIPID MAPS

Structure Database (LMSD)

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Common Name

Pseudo-LTC

Systematic Name

5,8-dihydroxy-6-(S-glutathionyl)-octanoic acid

Synonyms

LM ID

LMFA03020092

Formula

C₁₈H₃₁N₃O₁₀S

Exact Mass

Calculate m/z

481.173017

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)

RQRGQBIBHRAJQU-ZSVAQUKISA-N

InChi (Click to copy)

InChI=1S/C18H31N3O10S/c19-10(18(30)31)4-5-14(24)21-11(17(29)20-8-16(27)28)9-32-13(6-7-22)12(23)2-1-3-15(25)26/h10-13,22-23H,1-9,19H2,(H,20,29)(H,21,24)(H,25,26)(H,27,28)(H,30,31)/t10-,11-,12?,13?/m0/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 32

Rings

Aromatic Rings

Rotatable Bonds 18

Van der Waals Molecular Volume 446.17

Topological Polar Surface Area 236.58

Hydrogen Bond Donors 8

Hydrogen Bond Acceptors 13

logP -0.04

Molar Refractivity 116.38

Admin

Created at

27th Jan 2026

Updated at