LIPID MAPS

Systematic Name

Fucα1-2Galβ1-4GlcNAcβ1-3(Fucα1-2Galβ1-4GlcNAcβ1-6)Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/22:0)

LM ID

LMSP0505AR04

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

2333.224061

Formula

C₁₀₆H₁₈₈N₄O₅₁

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)

XGLPXGINNKGWSA-VSONFGJOSA-N

InChi (Click to copy)

InChI=1S/C106H188N4O51/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-66(122)110-56(57(121)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)49-142-100-86(139)83(136)92(64(48-117)152-100)155-103-87(140)93(74(127)60(44-113)146-103)158-98-68(108-54(6)119)77(130)89(62(46-115)150-98)154-104-88(141)94(159-99-69(109-55(7)120)78(131)91(63(47-116)151-99)157-106-96(82(135)73(126)59(43-112)148-106)161-102-85(138)80(133)71(124)52(4)145-102)75(128)65(153-104)50-143-97-67(107-53(5)118)76(129)90(61(45-114)149-97)156-105-95(81(134)72(125)58(42-111)147-105)160-101-84(137)79(132)70(123)51(3)144-101/h38,40,51-52,56-65,67-106,111-117,121,123-141H,8-37,39,41-50H2,1-7H3,(H,107,118)(H,108,119)(H,109,120)(H,110,122)/b40-38+/t51?,52?,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)

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC