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

Properties Image Occurences in reactions MNX_ID MNXM22618 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C112H196N6O57 charge 0 mass 2537.26228 reference lipidmapsM:LMSP0505DZ02 InChIKey HMWAWVMEABQRPQ-HEOKRWSPSA-N InChI InChI=1S/C112H196N6O57/c1-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-68(133)118-56(57(132)37-35-33-31-29-27-25-22-20-18-16-14-12-10-2)47-154-107-90(150)88(148)97(65(46-126)165-107)170-111-93(153)100(79(139)66(167-111)48-155-102-69(113-51(4)127)81(141)75(135)58(39-119)158-102)174-106-73(117-55(8)131)85(145)95(64(45-125)164-106)169-110-92(152)99(173-105-72(116-54(7)130)84(144)94(63(44-124)163-105)168-109-91(151)98(78(138)61(42-122)160-109)172-104-70(114-52(5)128)82(142)76(136)59(40-120)159-104)80(140)67(166-110)49-156-103-71(115-53(6)129)83(143)96(62(43-123)162-103)171-112-101(87(147)77(137)60(41-121)161-112)175-108-89(149)86(146)74(134)50(3)157-108/h35,37,50,56-67,69-112,119-126,132,134-153H,9-34,36,38-49H2,1-8H3,(H,113,127)(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,133)/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]3OC(CO)[C@H](O)[C@H](O)C3NC(C)=O)[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)C7NC(C)=O)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph