GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GalNAcbeta1-4Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM26144 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C94H167N5O43 charge 0 mass 2054.10348 reference lipidmapsM:LMSP0506AH03 InChIKey RSZTYQFXONQPMJ-LBKCCBCNSA-N InChI InChI=1S/C94H167N5O43/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-62(112)99-52(53(111)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)46-127-91-77(123)75(121)83(59(44-105)134-91)139-94-80(126)86(142-93-79(125)85(70(116)57(42-103)132-93)141-90-66(98-51(6)110)84(69(115)56(41-102)131-90)140-89-64(96-49(4)108)73(119)68(114)55(40-101)130-89)71(117)61(136-94)47-128-87-65(97-50(5)109)74(120)81(58(43-104)133-87)138-92-78(124)76(122)82(60(45-106)135-92)137-88-63(95-48(3)107)72(118)67(113)54(39-100)129-88/h35,37,52-61,63-94,100-106,111,113-126H,7-34,36,38-47H2,1-6H3,(H,95,107)(H,96,108)(H,97,109)(H,98,110)(H,99,112)/b37-35+/t52-,53+,54?,55?,56?,57?,58?,59?,60?,61?,63?,64?,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-/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]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)[C@H](O)C4O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph