LIPID MAPS

Structure Database (LMSD)

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Common Name

nLcOse10(d18:1/24:1(15Z))

Systematic Name

Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/24:1(15Z))

Synonyms

LM ID

LMSP0505EN07

Formula

C₁₁₀H₁₉₃N₅O₅₃

Exact Mass

Calculate m/z

2432.25609

Sum Composition

Hex(6)-HexNAc(4)-Cer 42:2;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

GQYBCACQHGKCFK-GRKRCZDASA-N

InChi (Click to copy)

InChI=1S/C110H193N5O53/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(131)115-58(59(130)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-149-105-87(144)85(142)96(69(52-125)159-105)164-110-91(148)100(79(136)64(47-120)154-110)168-104-74(114-57(6)129)83(140)95(68(51-124)158-104)163-109-90(147)99(78(135)63(46-119)153-109)167-103-73(113-56(5)128)82(139)94(67(50-123)157-103)162-108-89(146)98(77(134)62(45-118)152-108)166-102-72(112-55(4)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(3)126)80(137)92(65(48-121)155-101)160-106-86(143)84(141)75(132)60(43-116)150-106/h21-22,39,41,58-69,71-110,116-125,130,132-148H,7-20,23-38,40,42-53H2,1-6H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,131)/b22-21-,41-39+/t58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,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-,109-,110-/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(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC