GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM26687 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C116H204N6O57 charge 0 mass 2593.32488 reference lipidmapsM:LMSP0505DZ04 InChIKey BYZBTMHEKHCNLN-SYVVCXBASA-N InChI InChI=1S/C116H204N6O57/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-72(137)122-60(61(136)41-39-37-35-33-31-29-22-20-18-16-14-12-10-2)51-158-111-94(154)92(152)101(69(50-130)169-111)174-115-97(157)104(83(143)70(171-115)52-159-106-73(117-55(4)131)85(145)79(139)62(43-123)162-106)178-110-77(121-59(8)135)89(149)99(68(49-129)168-110)173-114-96(156)103(177-109-76(120-58(7)134)88(148)98(67(48-128)167-109)172-113-95(155)102(82(142)65(46-126)164-113)176-108-74(118-56(5)132)86(146)80(140)63(44-124)163-108)84(144)71(170-114)53-160-107-75(119-57(6)133)87(147)100(66(47-127)166-107)175-116-105(91(151)81(141)64(45-125)165-116)179-112-93(153)90(150)78(138)54(3)161-112/h39,41,54,60-71,73-116,123-130,136,138-157H,9-38,40,42-53H2,1-8H3,(H,117,131)(H,118,132)(H,119,133)(H,120,134)(H,121,135)(H,122,137)/b41-39+/t54?,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 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)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph