NeuAcalpha2-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM27797 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C85H150N4O41 charge 0 mass 1882.97755 reference lipidmapsM:LMSP0601EL01 InChIKey VVHMPSMJDXSYCG-YKLVZNIHSA-N InChI InChI=1S/C85H150N4O41/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(100)46(89-56(103)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-117-80-67(111)66(110)72(55(41-96)123-80)125-82-68(112)75(62(106)51(37-92)120-82)127-78-58(87-44(4)98)65(109)71(54(40-95)122-78)124-81-69(113)76(63(107)52(38-93)119-81)128-79-59(88-45(5)99)73(61(105)50(36-91)118-79)126-83-70(114)77(64(108)53(39-94)121-83)130-85(84(115)116)34-48(101)57(86-43(3)97)74(129-85)60(104)49(102)35-90/h30,32,46-55,57-83,90-96,100-102,104-114H,6-29,31,33-42H2,1-5H3,(H,86,97)(H,87,98)(H,88,99)(H,89,103)(H,115,116)/b32-30+/t46-,47+,48?,49+,50?,51?,52?,53?,54?,55?,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](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](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)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph