Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM22742 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C118H207N5O56 charge 0 mass 2590.35037 reference lipidmapsM:LMSP0505DX08 InChIKey PJPKOFNDXFLAJJ-ILKQXYNJSA-N InChI InChI=1S/C118H207N5O56/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-74(137)123-63(64(136)45-43-41-39-37-35-33-22-20-18-16-14-12-10-2)55-158-112-96(155)93(152)102(72(54-131)169-112)172-115-97(156)103(83(142)67(49-126)163-115)175-110-77(121-61(7)134)88(147)99(70(52-129)167-110)171-116-98(157)104(85(144)73(170-116)56-159-108-76(120-60(6)133)87(146)100(69(51-128)166-108)173-117-106(92(151)82(141)66(48-125)164-117)178-113-94(153)90(149)79(138)57(3)160-113)176-111-78(122-62(8)135)89(148)101(71(53-130)168-111)174-118-107(179-114-95(154)91(150)80(139)58(4)161-114)105(84(143)68(50-127)165-118)177-109-75(119-59(5)132)86(145)81(140)65(47-124)162-109/h23-24,43,45,57-58,63-73,75-118,124-131,136,138-157H,9-22,25-42,44,46-56H2,1-8H3,(H,119,132)(H,120,133)(H,121,134)(H,122,135)(H,123,137)/b24-23-,45-43+/t57?,58?,63-,64+,65?,66?,67?,68?,69?,70?,71?,72?,73?,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-,117-,118-/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](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]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