NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM24037 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C85H150N4O42 charge 0 mass 1898.97246 reference lipidmapsM:LMSP0601BP01 InChIKey DIPBCXLGMHBNNL-HFWUGOKNSA-N InChI InChI=1S/C85H150N4O42/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-46(100)45(88-55(103)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)42-118-80-67(112)65(110)73(53(39-95)123-80)127-81-68(113)66(111)72(54(40-96)124-81)125-79-59(87-44(4)99)74(61(106)49(35-91)119-79)128-82-69(114)76(62(107)50(36-92)120-82)129-78-58(86-43(3)98)64(109)71(52(38-94)122-78)126-83-70(115)77(63(108)51(37-93)121-83)131-85(84(116)117)33-47(101)57(89-56(104)41-97)75(130-85)60(105)48(102)34-90/h29,31,45-54,57-83,90-97,100-102,105-115H,5-28,30,32-42H2,1-4H3,(H,86,98)(H,87,99)(H,88,103)(H,89,104)(H,116,117)/b31-29+/t45-,46+,47?,48+,49?,50?,51?,52?,53?,54?,57+,58?,59?,60+,61-,62-,63-,64+,65+,66+,67?,68?,69?,70?,71+,72-,73+,74+,75?,76-,77-,78-,79-,80+,81-,82-,83-,85-/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]3OC(CO)[C@H](O)[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@]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)C3NC(C)=O)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph