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

Properties Image Occurences in reactions MNX_ID MNXM27596 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C116H204N4O57 charge 0 mass 2565.31874 reference lipidmapsM:LMSP0505ED08 InChIKey URGONLOZTUDJIN-CYGZSYEWSA-N InChI InChI=1S/C116H204N4O57/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(133)120-60(61(132)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)53-156-110-94(152)90(148)101(69(52-128)167-110)172-115-97(155)104(82(140)71(169-115)55-158-109-91(149)87(145)77(135)62(45-121)160-109)175-108-75(119-59(6)131)85(143)99(68(51-127)166-108)171-114-96(154)103(174-107-74(118-58(5)130)84(142)98(67(50-126)165-107)170-113-95(153)102(80(138)65(48-124)162-113)176-112-93(151)88(146)78(136)63(46-122)161-112)81(139)70(168-114)54-157-106-73(117-57(4)129)83(141)100(66(49-125)164-106)173-116-105(89(147)79(137)64(47-123)163-116)177-111-92(150)86(144)76(134)56(3)159-111/h21-22,41,43,56,60-71,73-116,121-128,132,134-155H,7-20,23-40,42,44-55H2,1-6H3,(H,117,129)(H,118,130)(H,119,131)(H,120,133)/b22-21-,43-41+/t56?,60-,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[C@H]7OC(CO)[C@H](O)[C@H](O)C7O)C6O)[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