LIPID MAPS

Structure Database (LMSD)

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Common Name

Fuc-GD1b(d18:1/24:0)

Systematic Name

Fucα1-2GalNAcβ1-4(NeuAcα2-8NeuAcα2-3)Galβ1-4Glcβ-Cer(d18:1/24:0)

Synonyms

LM ID

LMSP0601CG05

Formula

C₉₀H₁₆₀N₄O₃₈

Exact Mass

Calculate m/z

1905.071066

Sum Composition

Hex(2)-HexNAc-Fuc-NeuAc(2)-Cer 42:1;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

MYAMOJACNZVQTR-NRAFYNFLSA-N

InChi (Click to copy)

InChI=1S/C90H160N4O38/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-64(107)93-55(56(103)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)50-122-85-76(116)74(114)78(62(48-98)125-85)127-86-77(117)82(79(63(49-99)126-86)128-84-67(72(112)70(110)60(46-96)124-84)94(54(6)102)83-75(115)73(113)68(108)51(3)123-83)132-90(88(120)121)44-58(105)66(92-53(5)101)81(131-90)71(111)61(47-97)129-89(87(118)119)43-57(104)65(91-52(4)100)80(130-89)69(109)59(106)45-95/h39,41,51,55-63,65-86,95-99,103-106,108-117H,7-38,40,42-50H2,1-6H3,(H,91,100)(H,92,101)(H,93,107)(H,118,119)(H,120,121)/b41-39+/t51-,55-,56+,57-,58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75-,76+,77+,78+,79-,80+,81+,82+,83-,84-,85+,86-,89+,90-/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]3N([C@@H]3[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O3)C(C)=O)O)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(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC