GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM23252 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C112H196N6O57 charge 0 mass 2537.26228 reference lipidmapsM:LMSP0504BL02 InChIKey WEULEDBYAQKZNS-HPPKUSOSSA-N InChI InChI=1S/C112H196N6O57/c1-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-68(134)118-56(57(133)37-35-33-31-29-27-25-22-20-18-16-14-12-10-2)48-154-107-89(150)87(148)93(66(47-127)165-107)167-109-90(151)98(81(142)63(44-124)162-109)172-105-73(117-55(8)132)96(79(140)62(43-123)160-105)169-111-92(153)99(173-106-72(116-54(7)131)95(78(139)61(42-122)161-106)168-110-91(152)97(80(141)64(45-125)163-110)171-103-69(113-51(4)128)84(145)75(136)58(39-119)158-103)83(144)67(166-111)49-155-102-71(115-53(6)130)94(77(138)60(41-121)157-102)170-112-101(175-108-88(149)86(147)74(135)50(3)156-108)100(82(143)65(46-126)164-112)174-104-70(114-52(5)129)85(146)76(137)59(40-120)159-104/h35,37,50,56-67,69-112,119-127,133,135-153H,9-34,36,38-49H2,1-8H3,(H,113,128)(H,114,129)(H,115,130)(H,116,131)(H,117,132)(H,118,134)/b37-35+/t50?,56-,57+,58?,59?,60?,61?,62?,63?,64?,65?,66?,67?,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-,111-,112-/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[C@@H]7OC(CO)[C@H](O)[C@H](O)C7NC(C)=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)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph