NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM29325 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C115H201N5O60 charge 0 mass 2612.28308 reference lipidmapsM:LMSP0601FZ03 InChIKey OMCFTYZOWUVSBC-YOMWNSFHSA-N InChI InChI=1S/C115H201N5O60/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-70(137)120-57(58(134)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)50-159-107-90(153)87(150)97(68(49-129)169-107)173-110-91(154)99(78(141)62(43-123)163-110)175-105-73(118-55(6)132)83(146)94(66(47-127)167-105)171-111-92(155)100(176-106-74(119-56(7)133)84(147)95(67(48-128)168-106)172-112-93(156)101(79(142)63(44-124)164-112)180-115(114(157)158)40-59(135)71(116-53(4)130)98(179-115)76(139)60(136)41-121)81(144)69(170-111)51-160-104-72(117-54(5)131)82(145)96(65(46-126)166-104)174-113-103(178-108-88(151)85(148)75(138)52(3)161-108)102(80(143)64(45-125)165-113)177-109-89(152)86(149)77(140)61(42-122)162-109/h36,38,52,57-69,71-113,121-129,134-136,138-156H,8-35,37,39-51H2,1-7H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,137)(H,157,158)/b38-36+/t52?,57-,58+,59?,60+,61?,62?,63?,64?,65?,66?,67?,68?,69?,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-,113-,115-/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]4OC(CO[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)C7O)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@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph