NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM23112 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C109H191N5O52 charge 0 mass 2402.24551 reference lipidmapsM:LMSP0601EQ08 InChIKey PNNUQRKCMKCXCY-JTJWKWRASA-N InChI InChI=1S/C109H191N5O52/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-71(130)113-59(60(127)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)54-149-103-88(143)86(141)95(69(52-122)157-103)162-105-89(144)97(79(134)64(47-117)152-105)163-101-75(111-57(4)125)83(138)93(67(50-120)155-101)160-106-90(145)98(81(136)70(158-106)55-150-100-74(110-56(3)124)82(137)92(66(49-119)154-100)159-104-87(142)85(140)78(133)63(46-116)151-104)164-102-76(112-58(5)126)84(139)94(68(51-121)156-102)161-107-91(146)99(80(135)65(48-118)153-107)166-109(108(147)148)44-61(128)73(114-72(131)53-123)96(165-109)77(132)62(129)45-115/h20-21,40,42,59-70,73-107,115-123,127-129,132-146H,6-19,22-39,41,43-55H2,1-5H3,(H,110,124)(H,111,125)(H,112,126)(H,113,130)(H,114,131)(H,147,148)/b21-20-,42-40+/t59-,60+,61?,62+,63?,64?,65?,66?,67?,68?,69?,70?,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-,109-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=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]4OC(CO[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)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@]7(C(=O)O)CC(O)[C@@H](NC(=O)CO)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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph