LIPID MAPS

Structure Database (LMSD)

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Common Name

nLcOse10(d18:1/20:0)

Systematic Name

Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/20:0)

Synonyms

LM ID

LMSP0505EN03

Formula

C₁₀₆H₁₈₇N₅O₅₃

Exact Mass

Calculate m/z

2378.20914

Sum Composition

Hex(6)-HexNAc(4)-Cer 38:1;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

CMLRSXCLGZOZQN-WPILOAOKSA-N

InChi (Click to copy)

InChI=1S/C106H187N5O53/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(127)111-54(55(126)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)49-145-101-83(140)81(138)92(65(48-121)155-101)160-106-87(144)96(75(132)60(43-116)150-106)164-100-70(110-53(6)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(5)124)78(135)90(63(46-119)153-99)158-104-85(142)94(73(130)58(41-114)148-104)162-98-68(108-51(4)123)77(134)89(62(45-118)152-98)157-103-84(141)93(72(129)57(40-113)147-103)161-97-67(107-50(3)122)76(133)88(61(44-117)151-97)156-102-82(139)80(137)71(128)56(39-112)146-102/h35,37,54-65,67-106,112-121,126,128-144H,7-34,36,38-49H2,1-6H3,(H,107,122)(H,108,123)(H,109,124)(H,110,125)(H,111,127)/b37-35+/t54-,55+,56+,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+,89+,90+,91+,92+,93-,94-,95-,96-,97-,98-,99-,100-,101+,102-,103-,104-,105-,106-/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(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC