LIPID MAPS

Structure Database (LMSD)

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Common Name

DAT(16:0/24:0(2Me[R],3OH[R],4Me[S],6Me[S]))

Systematic Name

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

Synonyms

LM ID

LMSL03000003

Formula

C₅₅H₁₀₄O₁₄

Exact Mass

Calculate m/z

988.74261

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)

GMJFLIDPDMRXHA-BPCRLUNHSA-N

InChi (Click to copy)

InChI=1S/C55H104O14/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-35-40(3)37-41(4)46(59)42(5)53(64)68-51-48(61)44(39-57)66-55(69-54-50(63)49(62)47(60)43(38-56)65-54)52(51)67-45(58)36-34-32-30-28-26-23-19-17-15-13-11-9-7-2/h40-44,46-52,54-57,59-63H,6-39H2,1-5H3/t40-,41-,42+,43+,44+,46+,47+,48+,49-,50+,51-,52+,54+,55+/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)CCCCCCCCCCCCCCC)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O