Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM22581 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C100H178N4O47 charge 0 mass 2187.16614 reference lipidmapsM:LMSP0504BA04 InChIKey HRVCQRHABGRTHS-UZBCLHHNSA-N InChI InChI=1S/C100H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-64(116)104-54(55(115)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)48-134-95-82(131)79(128)86(62(47-111)143-95)146-98-83(132)89(73(122)60(45-109)140-98)149-93-66(102-52(5)113)87(71(120)58(43-107)137-93)147-99-84(133)90(74(123)63(144-99)49-135-92-65(101-51(4)112)75(124)85(61(46-110)142-92)145-97-81(130)77(126)69(118)56(41-105)139-97)150-94-67(103-53(6)114)88(72(121)59(44-108)138-94)148-100-91(78(127)70(119)57(42-106)141-100)151-96-80(129)76(125)68(117)50(3)136-96/h37,39,50,54-63,65-100,105-111,115,117-133H,7-36,38,40-49H2,1-6H3,(H,101,112)(H,102,113)(H,103,114)(H,104,116)/b39-37+/t50?,54-,55+,56?,57?,58?,59?,60?,61?,62?,63?,65?,66?,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-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[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](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](O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[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)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph