LIPID MAPS

Structure Database (LMSD)

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Common Name

Fuc-GD1b(d18:1/26:1(17Z))

Systematic Name

Fucα1-2GalNAcβ1-4(NeuAcα2-8NeuAcα2-3)Galβ1-4Glcβ-Cer(d18:1/26:1(17Z))

Synonyms

LM ID

LMSP0601CG08

Formula

C₉₂H₁₆₂N₄O₃₈

Exact Mass

Calculate m/z

1931.086716

Sum Composition

Hex(2)-HexNAc-Fuc-NeuAc(2)-Cer 44:2;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

ZUHOQPKGRKWDTI-JEUCCAKXSA-N

InChi (Click to copy)

InChI=1S/C92H162N4O38/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-66(109)95-57(58(105)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)52-124-87-78(118)76(116)80(64(50-100)127-87)129-88-79(119)84(81(65(51-101)128-88)130-86-69(74(114)72(112)62(48-98)126-86)96(56(6)104)85-77(117)75(115)70(110)53(3)125-85)134-92(90(122)123)46-60(107)68(94-55(5)103)83(133-92)73(113)63(49-99)131-91(89(120)121)45-59(106)67(93-54(4)102)82(132-91)71(111)61(108)47-97/h21-22,41,43,53,57-65,67-88,97-101,105-108,110-119H,7-20,23-40,42,44-52H2,1-6H3,(H,93,102)(H,94,103)(H,95,109)(H,120,121)(H,122,123)/b22-21-,43-41+/t53-,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-,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]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(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC