LIPID MAPS

Systematic Name

Galα1-3Galβ1-4GlcNAcβ1-3(GlcNAcβ1-6)Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/24:0)

LM ID

LMSP0505BW05

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

2434.271740

Formula

C₁₁₀H₁₉₅N₅O₅₃

Download as...

MDLMOL SDF CSV TSV PNG

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

QDCYJEZIIOZDDR-NIRVMMLOSA-N

InChi (Click to copy)

InChI=1S/C110H195N5O53/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(130)115-58(59(129)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)52-149-105-88(144)86(142)96(68(51-124)159-105)164-109-90(146)98(78(134)63(46-119)155-109)166-102-72(112-55(4)126)82(138)93(65(48-121)156-102)161-107-89(145)97(77(133)62(45-118)153-107)165-103-73(113-56(5)127)84(140)95(67(50-123)157-103)163-110-92(148)100(80(136)69(160-110)53-150-101-71(111-54(3)125)81(137)75(131)60(43-116)151-101)167-104-74(114-57(6)128)83(139)94(66(49-122)158-104)162-108-91(147)99(79(135)64(47-120)154-108)168-106-87(143)85(141)76(132)61(44-117)152-106/h39,41,58-69,71-110,116-124,129,131-148H,7-38,40,42-53H2,1-6H3,(H,111,125)(H,112,126)(H,113,127)(H,114,128)(H,115,130)/b41-39+/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)

CC(=O)NC1[C@@H](O[C@@H]2[C@H](O)C(CO[C@H]3OC(CO)[C@H](O)[C@@H](O)C3NC(C)=O)O[C@H](O[C@H]3C(CO)O[C@H](O[C@H]4C(O)[C@H](OC(CO)[C@H]4O)O[C@H]4C(CO)O[C@H](O[C@H]5C(O)[C@H](OC(CO)[C@H]5O)O[C@H]5C(CO)O[C@H](OC[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@@H](O)/C=C/CCCCCCCCCCCCC)C(O)[C@@H]5O)C(NC(C)=O)[C@@H]4O)C(NC(C)=O)[C@@H]3O)C2O)OC(CO)[C@H](O[C@H]2OC(CO)[C@@H](O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)C2O)[C@H]1O