NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM23984 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C107H187N5O55 charge 0 mass 2422.19896 reference lipidmapsM:LMSP0601ES02 InChIKey QDEFRRZJFYIDRK-NRZOXQIYSA-N InChI InChI=1S/C107H187N5O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-66(129)112-54(55(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)48-148-100-82(141)80(139)89(64(46-120)157-100)160-103-83(142)93(73(132)58(40-114)151-103)163-97-68(109-51(5)123)77(136)87(62(44-118)154-97)158-102-84(143)95(75(134)59(41-115)150-102)165-99-70(111-53(7)125)92(162-101-81(140)79(138)71(130)49(3)149-101)90(65(47-121)156-99)161-104-85(144)94(74(133)60(42-116)152-104)164-98-69(110-52(6)124)78(137)88(63(45-119)155-98)159-105-86(145)96(76(135)61(43-117)153-105)167-107(106(146)147)38-56(127)67(108-50(4)122)91(166-107)72(131)57(128)39-113/h34,36,49,54-65,67-105,113-121,126-128,130-145H,8-33,35,37-48H2,1-7H3,(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,129)(H,146,147)/b36-34+/t49?,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](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]8OC(CO)[C@H](O)[C@H](O[C@]9(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O9)C8O)[C@H](O)C7NC(C)=O)C6O)[C@H](O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)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