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

Other Databases

PubChem CID

178328115

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