LIPID MAPS

Structure Database (LMSD)

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Common Name

G6 ganglioside(d18:1/22:0)

Systematic Name

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

Synonyms

LM ID

LMSP0601EI04

Formula

C₉₁H₁₆₂N₄O₄₁

Exact Mass

Calculate m/z

1967.071461

Sum Composition

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

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

QSYWILFMDRNIKD-HXVRDJKSSA-N

InChi (Click to copy)

InChI=1S/C91H162N4O41/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(109)95-52(53(106)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-123-86-73(117)72(116)79(61(47-102)129-86)132-88-75(119)82(68(112)57(43-98)125-88)134-84-64(93-50(4)104)70(114)77(59(45-100)127-84)130-87-74(118)81(67(111)56(42-97)124-87)133-85-65(94-51(5)105)71(115)78(60(46-101)128-85)131-89-76(120)83(69(113)58(44-99)126-89)136-91(90(121)122)40-54(107)63(92-49(3)103)80(135-91)66(110)55(108)41-96/h36,38,52-61,63-89,96-102,106-108,110-120H,6-35,37,39-48H2,1-5H3,(H,92,103)(H,93,104)(H,94,105)(H,95,109)(H,121,122)/b38-36+/t52-,53+,54-,55+,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81-,82-,83-,84-,85-,86+,87-,88-,89-,91-/m0/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]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C7)C(O)=O)[C@H]6O)[C@H](O)[C@H]5NC(=O)C)[C@H]4O)[C@H](O)[C@H]3NC(=O)C)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC