GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM29463 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C112H196N6O53 charge 0 mass 2473.28263 reference lipidmapsM:LMSP0504BK07 InChIKey LRGIBYPPSYODJW-DSXQCOECSA-N InChI InChI=1S/C112H196N6O53/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-72(134)118-60(61(133)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)53-152-108-90(147)89(146)95(70(52-127)162-108)164-109-91(148)101(85(142)67(49-124)159-109)170-106-77(117-59(7)132)98(82(139)66(48-123)157-106)167-112-94(151)102(171-107-76(116-58(6)131)97(81(138)65(47-122)158-107)166-111-93(150)100(84(141)69(51-126)161-111)169-105-74(114-56(4)129)88(145)79(136)63(45-120)156-105)86(143)71(163-112)54-153-103-75(115-57(5)130)96(80(137)64(46-121)154-103)165-110-92(149)99(83(140)68(50-125)160-110)168-104-73(113-55(3)128)87(144)78(135)62(44-119)155-104/h22-23,40,42,60-71,73-112,119-127,133,135-151H,8-21,24-39,41,43-54H2,1-7H3,(H,113,128)(H,114,129)(H,115,130)(H,116,131)(H,117,132)(H,118,134)/b23-22-,42-40+/t60-,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-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=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](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)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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph