LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

DAT(19:0/25:0(2Me[R],3OH[R],4Me[S],6Me[S]))

Systematic Name

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

Synonyms

LM ID

LMSL03000018

Formula

C₅₉H₁₁₂O₁₄

Exact Mass

Calculate m/z

1044.80521

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)

JLVQXGKJNKBUNJ-VRHQXLEVSA-N

InChi (Click to copy)

InChI=1S/C59H112O14/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-44(3)41-45(4)50(63)46(5)57(68)72-55-52(65)48(43-61)70-59(73-58-54(67)53(66)51(64)47(42-60)69-58)56(55)71-49(62)40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h44-48,50-56,58-61,63-67H,6-43H2,1-5H3/t44-,45-,46+,47+,48+,50+,51+,52+,53-,54+,55-,56+,58+,59+/m0/s1

SMILES (Click to copy)

CCCCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCCCCCCC)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O