LIPID MAPS

Structure Database (LMSD)

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Common Name

sLea -Lex(d18:1/22:0)

Systematic Name

NeuAcα2-3Galβ1-3(Fucα1-4)GlcNAcβ1-3(Galβ1-4(Fucα1-3)GlcNAcβ1-6)Galβ1-4Glcβ-Cer(d18:1/22:0)

Synonyms

LM ID

LMSP0601DO04

Formula

C₁₀₃H₁₈₂N₄O₄₉

Exact Mass

Calculate m/z

2259.187281

Sum Composition

Hex(4)-HexNAc(2)-Fuc(2)-NeuAc-Cer 40:1;O2

Status

Computationally Generated

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

CZEZWEPMJNQXKU-LUHCRFQLSA-N

InChi (Click to copy)

InChI=1S/C103H182N4O49/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-66(120)107-56(57(117)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)49-139-96-83(134)79(130)86(62(46-111)147-96)149-100-84(135)92(75(126)65(148-100)50-140-94-68(105-54(6)115)90(152-98-81(132)77(128)71(122)52(4)142-98)87(63(47-112)145-94)151-99-82(133)78(129)73(124)60(44-109)143-99)154-95-69(106-55(7)116)91(88(64(48-113)146-95)150-97-80(131)76(127)70(121)51(3)141-97)153-101-85(136)93(74(125)61(45-110)144-101)156-103(102(137)138)42-58(118)67(104-53(5)114)89(155-103)72(123)59(119)43-108/h38,40,51-52,56-65,67-101,108-113,117-119,121-136H,8-37,39,41-50H2,1-7H3,(H,104,114)(H,105,115)(H,106,116)(H,107,120)(H,137,138)/b40-38+/t51-,52-,56+,57-,58+,59-,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71-,72-,73+,74+,75+,76-,77-,78+,79-,80+,81+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92+,93+,94-,95+,96-,97-,98-,99+,100+,101+,103+/m1/s1

SMILES (Click to copy)

[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(=O)C)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)[C@H]4O)[C@H]3NC(=O)C)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC