LIPID MAPS

Common Name

B-IV antigen(d18:1/22:0)

Systematic Name

Fucα1-2(Galα1-3)Galβ1-4GlcNAcβ1-6(Galα1-3(Fucα1-2)Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3)Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/22:0)

Synonyms

LM ID

LMSP0505EP04

Formula

C₁₃₂H₂₃₁N₅O₇₁

Exact Mass

Calculate m/z

3022.46191

Sum Composition

Hex(8)-HexNAc(4)-Fuc(2)-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)

MSCCOSJZKWNPAG-YNFCPSTDSA-N

InChi (Click to copy)

InChI=1S/C132H231N5O71/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-76(154)137-62(63(153)41-39-37-35-33-31-29-22-20-18-16-14-12-10-2)54-181-123-103(177)98(172)111(74(53-148)195-123)199-129-105(179)113(86(160)67(46-141)188-129)203-120-78(134-59(6)150)92(166)108(72(51-146)192-120)198-130-106(180)114(89(163)75(196-130)55-182-119-77(133-58(5)149)90(164)109(70(49-144)191-119)200-131-117(207-124-99(173)94(168)81(155)56(3)183-124)115(87(161)68(47-142)189-131)205-126-101(175)96(170)83(157)64(43-138)185-126)204-122-79(135-60(7)151)91(165)107(71(50-145)193-122)197-128-104(178)112(85(159)66(45-140)187-128)202-121-80(136-61(8)152)93(167)110(73(52-147)194-121)201-132-118(208-125-100(174)95(169)82(156)57(4)184-125)116(88(162)69(48-143)190-132)206-127-102(176)97(171)84(158)65(44-139)186-127/h39,41,56-57,62-75,77-132,138-148,153,155-180H,9-38,40,42-55H2,1-8H3,(H,133,149)(H,134,150)(H,135,151)(H,136,152)(H,137,154)/b41-39+/t56-,57-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,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-,111-,112+,113+,114+,115+,116+,117-,118-,119-,120+,121+,122+,123-,124-,125-,126-,127-,128+,129+,130+,131+,132+/m1/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]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](O)[C@H]7O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(=O)C)[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](O)[C@H]9O)[C@H]8O[C@H]8O[C@H](C)[C@@H](O)[C@@H](O)[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