Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM27773 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C110H194N4O56 charge 0 mass 2467.24557 reference lipidmapsM:LMSP0505EC03 InChIKey OXCZPHNDIVRWLP-XPNXCPQMSA-N InChI InChI=1S/C110H194N4O56/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-66(126)114-55(56(125)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)47-149-104-89(146)85(142)95(63(46-121)160-104)164-108-91(148)97(76(133)65(162-108)49-151-103-86(143)82(139)72(129)57(40-115)154-103)168-101-68(112-53(6)123)78(135)92(61(44-119)158-101)163-107-90(147)96(167-102-69(113-54(7)124)79(136)94(62(45-120)159-102)166-110-99(84(141)74(131)59(42-117)156-110)170-106-88(145)81(138)71(128)51(4)153-106)75(132)64(161-107)48-150-100-67(111-52(5)122)77(134)93(60(43-118)157-100)165-109-98(83(140)73(130)58(41-116)155-109)169-105-87(144)80(137)70(127)50(3)152-105/h36,38,50-51,55-65,67-110,115-121,125,127-148H,8-35,37,39-49H2,1-7H3,(H,111,122)(H,112,123)(H,113,124)(H,114,126)/b38-36+/t50?,51?,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+,107-,108-,109-,110-/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](O)C3O)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@@H]5OC(CO)[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)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[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)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph