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

Properties Image Occurences in reactions MNX_ID MNXM24043 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C108H191N5O53 charge 0 mass 2406.24043 reference lipidmapsM:LMSP0505BP04 InChIKey PCEARPPULVXNAP-NFPJHVFISA-N InChI InChI=1S/C108H191N5O53/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(128)113-56(57(127)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)50-147-103-86(142)84(140)94(66(49-122)157-103)162-107-88(144)96(76(132)61(44-117)153-107)164-101-71(111-54(5)125)82(138)93(65(48-121)155-101)161-108-90(146)98(165-102-72(112-55(6)126)81(137)92(64(47-120)156-102)160-105-87(143)95(75(131)60(43-116)151-105)163-100-69(109-52(3)123)79(135)73(129)58(41-114)149-100)78(134)67(158-108)51-148-99-70(110-53(4)124)80(136)91(63(46-119)154-99)159-106-89(145)97(77(133)62(45-118)152-106)166-104-85(141)83(139)74(130)59(42-115)150-104/h37,39,56-67,69-108,114-122,127,129-146H,7-36,38,40-51H2,1-6H3,(H,109,123)(H,110,124)(H,111,125)(H,112,126)(H,113,128)/b39-37+/t56-,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-/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](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