GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM27290 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C106H187N5O52 charge 0 mass 2362.21421 reference lipidmapsM:LMSP0504BJ03 InChIKey DZYLLANSDXALCA-XLIROJJWSA-N InChI InChI=1S/C106H187N5O52/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-66(125)111-55(56(124)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)48-144-101-85(140)83(138)89(64(47-119)154-101)156-103-86(141)94(78(133)62(45-117)151-103)161-99-70(110-54(7)123)92(76(131)61(44-116)149-99)158-105-88(143)95(162-100-69(109-53(6)122)91(75(130)60(43-115)150-100)157-104-87(142)93(77(132)63(46-118)152-104)160-98-67(107-51(4)120)80(135)72(127)57(40-112)148-98)79(134)65(155-105)49-145-97-68(108-52(5)121)90(74(129)59(42-114)147-97)159-106-96(82(137)73(128)58(41-113)153-106)163-102-84(139)81(136)71(126)50(3)146-102/h36,38,50,55-65,67-106,112-119,124,126-143H,8-35,37,39-49H2,1-7H3,(H,107,120)(H,108,121)(H,109,122)(H,110,123)(H,111,125)/b38-36+/t50?,55-,56+,57?,58?,59?,60?,61?,62?,63?,64?,65?,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-,101+,102+,103-,104-,105-,106-/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](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)[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)C7NC(C)=O)C6O)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph