Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM25808 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C112H198N4O56 charge 0 mass 2495.27687 reference lipidmapsM:LMSP0505EB04 InChIKey DDWLEPZGCBPOBR-HBPJWWCSSA-N InChI InChI=1S/C112H198N4O56/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-68(129)116-57(58(128)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)50-151-105-90(148)86(144)96(66(49-124)162-105)165-109-91(149)97(76(134)61(44-119)156-109)168-103-70(114-55(6)126)80(138)93(64(47-122)160-103)164-110-92(150)98(78(136)67(163-110)51-152-102-69(113-54(5)125)79(137)94(63(46-121)159-102)166-111-100(85(143)75(133)60(43-118)157-111)171-106-87(145)82(140)72(130)52(3)153-106)169-104-71(115-56(7)127)81(139)95(65(48-123)161-104)167-112-101(172-107-88(146)83(141)73(131)53(4)154-107)99(77(135)62(45-120)158-112)170-108-89(147)84(142)74(132)59(42-117)155-108/h38,40,52-53,57-67,69-112,117-124,128,130-150H,8-37,39,41-51H2,1-7H3,(H,113,125)(H,114,126)(H,115,127)(H,116,129)/b40-38+/t52?,53?,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](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)C7O)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)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph