NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM28442 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C107H187N5O56 charge 0 mass 2438.19387 reference lipidmapsM:LMSP0601FR02 InChIKey BYIRBWLHYIFTBW-NOVUTKDLSA-N InChI InChI=1S/C107H187N5O56/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(129)112-53(54(126)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-149-100-83(142)81(140)91(64(46-121)158-100)163-103-84(143)93(73(132)58(40-115)153-103)164-98-69(110-51(5)124)78(137)89(62(44-119)156-98)161-104-86(145)95(76(135)65(159-104)48-150-97-68(109-50(4)123)77(136)88(61(43-118)155-97)160-102-85(144)94(74(133)59(41-116)152-102)166-101-82(141)80(139)72(131)57(39-114)151-101)165-99-70(111-52(6)125)79(138)90(63(45-120)157-99)162-105-87(146)96(75(134)60(42-117)154-105)168-107(106(147)148)37-55(127)67(108-49(3)122)92(167-107)71(130)56(128)38-113/h33,35,53-65,67-105,113-121,126-128,130-146H,7-32,34,36-48H2,1-6H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,129)(H,147,148)/b35-33+/t53-,54+,55?,56+,57?,58?,59?,60?,61?,62?,63?,64?,65?,67+,68?,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-,107-/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@]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)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph