LIPID MAPS

Structure Database (LMSD)

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Common Name

GP1c(d18:1/24:0)

Systematic Name

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

Synonyms

LM ID

LMSP0601AX05

Formula

C₁₂₃H₂₁₁N₇O₆₃

Exact Mass

Calculate m/z

2794.352238

Sum Composition

Hex(3)-HexNAc-NeuAc(5)-Cer 42:1;O2

Status

Computationally Generated

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Classification

Reactions

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String Representations

InChiKey (Click to copy)

UFOQALNIVUQUNH-RVCPFEBKSA-N

InChi (Click to copy)

InChI=1S/C123H211N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-82(154)130-66(67(146)43-41-39-37-35-33-31-22-20-18-16-14-12-10-2)59-176-111-97(163)96(162)100(80(57-138)179-111)181-113-99(165)109(193-123(118(174)175)49-72(151)87(128-64(7)144)107(191-123)95(161)79(56-137)186-121(116(170)171)47-70(149)85(126-62(5)142)105(189-121)93(159)77(54-135)184-119(114(166)167)45-68(147)83(124-60(3)140)103(187-119)89(155)73(152)50-131)101(81(58-139)180-113)182-110-88(129-65(8)145)102(91(157)75(52-133)177-110)183-112-98(164)108(92(158)76(53-134)178-112)192-122(117(172)173)48-71(150)86(127-63(6)143)106(190-122)94(160)78(55-136)185-120(115(168)169)46-69(148)84(125-61(4)141)104(188-120)90(156)74(153)51-132/h41,43,66-81,83-113,131-139,146-153,155-165H,9-40,42,44-59H2,1-8H3,(H,124,140)(H,125,141)(H,126,142)(H,127,143)(H,128,144)(H,129,145)(H,130,154)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)/b43-41+/t66-,67+,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,79+,80+,81+,83+,84+,85+,86+,87+,88+,89+,90+,91-,92-,93+,94+,95+,96+,97+,98+,99+,100+,101-,102+,103+,104+,105+,106+,107+,108-,109+,110-,111+,112-,113-,119+,120+,121+,122-,123-/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](O[C@]4(O[C@@]([H])([C@H](O)[C@H](O[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=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[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=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