LIPID MAPS

Structure Database (LMSD)

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Common Name

Fuc-GD1b(d18:1/20:0)

Systematic Name

Fucα1-2Galβ1-3GalNAcβ1-4(NeuAcα2-8NeuAcα2-3)Galβ1-4Glcβ-Cer(d18:1/20:0)

Synonyms

LM ID

LMSP0601BI03

Formula

C₉₂H₁₆₂N₄O₄₃

Exact Mass

Calculate m/z

2011.061291

Sum Composition

Hex(3)-HexNAc-Fuc-NeuAc(2)-Cer 38:1;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

NYZKIDXRXSVOSY-NUYWCSQFSA-N

InChi (Click to copy)

InChI=1S/C92H162N4O43/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-62(110)96-52(53(106)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)47-126-85-75(120)73(118)77(60(45-101)130-85)132-87-76(121)82(139-92(90(124)125)40-55(108)64(94-50(5)104)81(138-92)70(115)59(44-100)136-91(89(122)123)39-54(107)63(93-49(4)103)80(137-91)67(112)56(109)41-97)78(61(46-102)131-87)133-84-65(95-51(6)105)79(69(114)58(43-99)128-84)134-88-83(72(117)68(113)57(42-98)129-88)135-86-74(119)71(116)66(111)48(3)127-86/h35,37,48,52-61,63-88,97-102,106-109,111-121H,7-34,36,38-47H2,1-6H3,(H,93,103)(H,94,104)(H,95,105)(H,96,110)(H,122,123)(H,124,125)/b37-35+/t48-,52-,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-,91+,92-/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]3O[C@@H]([C@@H]([C@@H]([C@H]3NC(C)=O)O[C@H]3[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O4)[C@@H](O)[C@@H](O)[C@@H](CO)O3)O)CO)[C@H](O[C@]3(O[C@@]([H])([C@H](O)[C@H](O[C@]4(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC