LIPID MAPS

Structure Database (LMSD)

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Common Name

DAT(19:0/23:0(2Me[R],3OH[R],4Me[S],6Me[S]))

Systematic Name

2-O-nonadecanoyl-3-O-(2R,4S,6S-trimethyl-3R-hydroxy-tricosanoyl)-α,α-trehalose

Synonyms

LM ID

LMSL03000016

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)

AEDDUGZQBSKFNG-QGONBMSCSA-N

InChi (Click to copy)

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

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