LIPID MAPS

Structure Database (LMSD)

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Common Name

DAT(18:0/24:0(2Me[R],3OH[R],4Me[S],6Me[S]))

Systematic Name

2-O-octadecanoyl-3-O-(2R,4S,6S-trimethyl-3R-hydroxy-tetracosanoyl)-α,α-trehalose

Synonyms

LM ID

LMSL03000010

Formula

C₅₇H₁₀₈O₁₄

Exact Mass

Calculate m/z

1016.77391

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Mycobacterium tuberculosis (#1773)

Actinomycetes (#1760)

Lipidomic analyses of Mycobacterium tuberculosis based on accurate mass measurements and the novel "Mtb LipidDB".,
J Lipid Res, 2011

Pubmed ID: 21285232

DOI: 10.1194/jlr.M010363

Mycobacterium tuberculosis (#1773)

Actinomycetes (#1760)

Asymmetric Total Synthesis and Structural Revision of DAT₂, an Antigenic Glycolipid from Mycobacterium tuberculosis.,
Angew Chem Int Ed Engl, 2024

Pubmed ID: 38456226

String Representations

InChiKey (Click to copy)

YWALNGNBZMNMGU-QGONBMSCSA-N

InChi (Click to copy)

InChI=1S/C57H108O14/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-42(3)39-43(4)48(61)44(5)55(66)70-53-50(63)46(41-59)68-57(71-56-52(65)51(64)49(62)45(40-58)67-56)54(53)69-47(60)38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h42-46,48-54,56-59,61-65H,6-41H2,1-5H3/t42-,43-,44+,45+,46+,48+,49+,50+,51-,52+,53-,54+,56+,57+/m0/s1

SMILES (Click to copy)

CCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)[C@H]([C@@H](C)C(=O)O[C@H]1[C@@H]([C@@H](CO)O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCCCC)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O