Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM22939 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C116H204N4O56 charge 0 mass 2549.32382 reference lipidmapsM:LMSP0505EC08 InChIKey PHHGQMFRYMXZDD-MKIXLPOESA-N InChI InChI=1S/C116H204N4O56/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-72(132)120-61(62(131)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)53-155-110-95(152)91(148)101(69(52-127)166-110)170-114-97(154)103(82(139)71(168-114)55-157-109-92(149)88(145)78(135)63(46-121)160-109)174-107-74(118-59(6)129)84(141)98(67(50-125)164-107)169-113-96(153)102(173-108-75(119-60(7)130)85(142)100(68(51-126)165-108)172-116-105(90(147)80(137)65(48-123)162-116)176-112-94(151)87(144)77(134)57(4)159-112)81(138)70(167-113)54-156-106-73(117-58(5)128)83(140)99(66(49-124)163-106)171-115-104(89(146)79(136)64(47-122)161-115)175-111-93(150)86(143)76(133)56(3)158-111/h22-23,42,44,56-57,61-71,73-116,121-127,131,133-154H,8-21,24-41,43,45-55H2,1-7H3,(H,117,128)(H,118,129)(H,119,130)(H,120,132)/b23-22-,44-42+/t56?,57?,61-,62+,63?,64?,65?,66?,67?,68?,69?,70?,71?,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+,111+,112+,113-,114-,115-,116-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph