NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM28042 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C111H195N5O56 charge 0 mass 2494.25647 reference lipidmapsM:LMSP0601FR04 InChIKey YXUFCLZNXQGXJH-POJPGTIMSA-N InChI InChI=1S/C111H195N5O56/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(133)116-57(58(130)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-153-104-87(146)85(144)95(68(50-125)162-104)167-107-88(147)97(77(136)62(44-119)157-107)168-102-73(114-55(5)128)82(141)93(66(48-123)160-102)165-108-90(149)99(80(139)69(163-108)52-154-101-72(113-54(4)127)81(140)92(65(47-122)159-101)164-106-89(148)98(78(137)63(45-120)156-106)170-105-86(145)84(143)76(135)61(43-118)155-105)169-103-74(115-56(6)129)83(142)94(67(49-124)161-103)166-109-91(150)100(79(138)64(46-121)158-109)172-111(110(151)152)41-59(131)71(112-53(3)126)96(171-111)75(134)60(132)42-117/h37,39,57-69,71-109,117-125,130-132,134-150H,7-36,38,40-52H2,1-6H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,133)(H,151,152)/b39-37+/t57-,58+,59?,60+,61?,62?,63?,64?,65?,66?,67?,68?,69?,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-,111-/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]4OC(CO[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@@H]7OC(CO)[C@H](O)[C@H](O)C7O)C6O)[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[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph