GalNAcalpha1-3GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM25124 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H165N5O41 charge 0 mass 2008.098 reference lipidmapsM:LMSP0601CP04 InChIKey AZYJAYOUDNKUHI-JSZCQKQDSA-N InChI InChI=1S/C93H165N5O41/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-64(113)98-54(55(110)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)49-126-89-76(121)75(120)79(62(47-104)131-89)133-91-78(123)85(139-93(92(124)125)41-56(111)65(94-50(3)106)83(138-93)69(114)57(112)42-99)80(63(48-105)132-91)134-87-68(97-53(6)109)82(72(117)60(45-102)128-87)136-90-77(122)84(73(118)61(46-103)130-90)137-88-67(96-52(5)108)81(71(116)59(44-101)129-88)135-86-66(95-51(4)107)74(119)70(115)58(43-100)127-86/h37,39,54-63,65-91,99-105,110-112,114-123H,7-36,38,40-49H2,1-6H3,(H,94,106)(H,95,107)(H,96,108)(H,97,109)(H,98,113)(H,124,125)/b39-37+/t54-,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-,93-/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)C6NC(C)=O)C5NC(C)=O)C4O)C3NC(C)=O)[C@H](O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph