Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM27959 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C96H170N4O42 charge 0 mass 2051.12897 reference lipidmapsM:LMSP0504AX07 InChIKey PBRWYIWLJKAOHD-IBFFTYKXSA-N InChI InChI=1S/C96H170N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-64(111)100-55(56(110)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)49-127-92-80(124)78(122)83(62(48-106)135-92)137-94-81(125)86(73(117)61(47-105)133-94)140-90-66(98-53(5)108)84(71(115)59(45-103)131-90)138-95-82(126)87(74(118)63(136-95)50-128-89-65(97-52(4)107)75(119)69(113)57(43-101)130-89)141-91-67(99-54(6)109)85(72(116)60(46-104)132-91)139-96-88(77(121)70(114)58(44-102)134-96)142-93-79(123)76(120)68(112)51(3)129-93/h21-22,39,41,51,55-63,65-96,101-106,110,112-126H,7-20,23-38,40,42-50H2,1-6H3,(H,97,107)(H,98,108)(H,99,109)(H,100,111)/b22-21-,41-39+/t51?,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-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=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](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph