LIPID MAPS

Structure Database (LMSD)

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Common Name

nLcOse10(d18:1/22:0)

Systematic Name

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

Synonyms

LM ID

LMSP0505EN04

Formula

C₁₀₈H₁₉₁N₅O₅₃

Exact Mass

Calculate m/z

2406.24044

Sum Composition

Hex(6)-HexNAc(4)-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)

NXTRXMVCHYJYMI-XQAYWYENSA-N

InChi (Click to copy)

InChI=1S/C108H191N5O53/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(129)113-56(57(128)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-147-103-85(142)83(140)94(67(50-123)157-103)162-108-89(146)98(77(134)62(45-118)152-108)166-102-72(112-55(6)127)81(138)93(66(49-122)156-102)161-107-88(145)97(76(133)61(44-117)151-107)165-101-71(111-54(5)126)80(137)92(65(48-121)155-101)160-106-87(144)96(75(132)60(43-116)150-106)164-100-70(110-53(4)125)79(136)91(64(47-120)154-100)159-105-86(143)95(74(131)59(42-115)149-105)163-99-69(109-52(3)124)78(135)90(63(46-119)153-99)158-104-84(141)82(139)73(130)58(41-114)148-104/h37,39,56-67,69-108,114-123,128,130-146H,7-36,38,40-51H2,1-6H3,(H,109,124)(H,110,125)(H,111,126)(H,112,127)(H,113,129)/b39-37+/t56-,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,69+,70+,71+,72+,73-,74-,75-,76-,77-,78+,79+,80+,81+,82-,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-/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@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9NC(=O)C)[C@H]8O)[C@H](O)[C@H]7NC(=O)C)[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