LIPID MAPS

Structure Database (LMSD)

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Common Name

DAT(18:0/23:0(2Me[R],3OH[R],4Me[S],6Me[S]))

Systematic Name

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

Synonyms

LM ID

LMSL03000009

Formula

C₅₆H₁₀₆O₁₄

Exact Mass

Calculate m/z

1002.75826

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)

SNUUQGKPTDOGBD-PLBUFKKISA-N

InChi (Click to copy)

InChI=1S/C56H106O14/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(3)38-42(4)47(60)43(5)54(65)69-52-49(62)45(40-58)67-56(70-55-51(64)50(63)48(61)44(39-57)66-55)53(52)68-46(59)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41-45,47-53,55-58,60-64H,6-40H2,1-5H3/t41-,42-,43+,44+,45+,47+,48+,49+,50-,51+,52-,53+,55+,56+/m0/s1

SMILES (Click to copy)

CCCCCCCCCCCCCCCCC[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