LIPID MAPS

Structure Database (LMSD)

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Common Name

Pseudo-LTD

Systematic Name

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

Synonyms

LM ID

LMFA03020093

Formula

C₁₃H₂₄N₂O₇S

Exact Mass

Calculate m/z

352.130424

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)

LVXBRRSRPUAGFM-IDKOKCKLSA-N

InChi (Click to copy)

InChI=1S/C13H24N2O7S/c14-8(13(22)15-6-12(20)21)7-23-10(4-5-16)9(17)2-1-3-11(18)19/h8-10,16-17H,1-7,14H2,(H,15,22)(H,18,19)(H,20,21)/t8-,9?,10?/m0/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 23

Rings

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 327.58

Topological Polar Surface Area 170.18

Hydrogen Bond Donors 6

Hydrogen Bond Acceptors 9

logP 0.33

Molar Refractivity 87.07

Admin

Created at

27th Jan 2026

Updated at