LIPID MAPS

Structure Database (LMSD)

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Common Name

AC2SGL(16:0/34:0(2Me[S],4Me[S],6Me[S],8Me[S],10Me[R],12Me[R],14Me[R],16Me[R],17OH))

Systematic Name

2-O-hexadecanoyl,3-O-(2S,4S,6S,8R,10R,12R,14R,16R-octamethyl)-17-hydroxy-tetratriacontanoyl)-2'-sulfotrehalose

Synonyms

LM ID

LMSL03001281

Formula

C₇₀H₁₃₄O₁₇S

Exact Mass

Calculate m/z

1278.934177

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

String Representations

InChiKey (Click to copy)

ZPZKTJDXPNJUAY-PNDNKMLWSA-N

InChi (Click to copy)

InChI=1S/C70H134O17S/c1-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-39-58(73)56(9)46-54(7)44-52(5)42-50(3)41-51(4)43-53(6)45-55(8)47-57(10)68(78)85-65-63(76)60(49-72)83-70(86-69-66(87-88(79,80)81)64(77)62(75)59(48-71)82-69)67(65)84-61(74)40-38-36-34-32-30-27-24-22-20-18-16-14-12-2/h50-60,62-67,69-73,75-77H,11-49H2,1-10H3,(H,79,80,81)/t50-,51+,52-,53+,54-,55+,56-,57+,58?,59-,60-,62-,63-,64+,65+,66-,67-,69-,70-/m1/s1

SMILES (Click to copy)

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