LIPID MAPS

Structure Database (LMSD)

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Common Name

Gala 1-3Lex(d18:1/18:0)

Systematic Name

Galα1-3Galβ1-4(Fucα1-3)GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/18:0)

Synonyms

LM ID

LMSP0505CV02

Formula

C₇₄H₁₃₄N₂O₃₂

Exact Mass

Calculate m/z

1562.891978

Sum Composition

Hex(4)-HexNAc-Fuc-Cer 36:1;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

CIRUAJTWKPJXCX-RGOBZFDDSA-N

InChi (Click to copy)

InChI=1S/C74H134N2O32/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(84)76-43(44(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-97-70-61(94)58(91)64(48(38-80)103-70)104-73-62(95)67(54(87)46(36-78)100-73)107-69-51(75-42(4)82)66(106-71-59(92)56(89)52(85)41(3)98-71)65(49(39-81)102-69)105-74-63(96)68(55(88)47(37-79)101-74)108-72-60(93)57(90)53(86)45(35-77)99-72/h31,33,41,43-49,51-74,77-81,83,85-96H,5-30,32,34-40H2,1-4H3,(H,75,82)(H,76,84)/b33-31+/t41-,43+,44-,45-,46-,47-,48-,49-,51-,52-,53+,54+,55+,56-,57+,58-,59+,60-,61-,62-,63-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73+,74+/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](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[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]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC