GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0)

Properties Image Occurences in reactions MNX_ID MNXM23903 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C94H170N2O43 charge 0 mass 2015.11773 reference lipidmapsM:LMSP0502AX06 InChIKey AERZTGRUZDOEFS-HPQCQKCFSA-N InChI InChI=1S/C94H170N2O43/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-62(107)96-52(53(106)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)50-124-88-73(117)71(115)80(60(48-103)131-88)133-89-74(118)72(116)81(61(49-104)132-89)134-90-76(120)83(66(110)56(44-99)126-90)136-92-78(122)85(68(112)58(46-101)128-92)138-94-79(123)86(69(113)59(47-102)130-94)139-93-77(121)84(67(111)57(45-100)129-93)137-91-75(119)82(65(109)55(43-98)127-91)135-87-63(95-51(3)105)70(114)64(108)54(42-97)125-87/h38,40,52-61,63-94,97-104,106,108-123H,4-37,39,41-50H2,1-3H3,(H,95,105)(H,96,107)/b40-38+/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](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[C@H]6OC(CO)[C@H](O)[C@H](O[C@H]7OC(CO)[C@H](O)[C@H](O[C@@H]8OC(CO)[C@H](O)[C@H](O)C8NC(C)=O)C7O)C6O)C5O)C4O)C3O)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph