NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM29618 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C89H158N4O42 charge 0 mass 1955.03507 reference lipidmapsM:LMSP0601BP03 InChIKey UNRTXRJZCGKQTH-JRHSSWIWSA-N InChI InChI=1S/C89H158N4O42/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-59(107)92-49(50(104)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)46-122-84-71(116)69(114)77(57(43-99)127-84)131-85-72(117)70(115)76(58(44-100)128-85)129-83-63(91-48(4)103)78(65(110)53(39-95)123-83)132-86-73(118)80(66(111)54(40-96)124-86)133-82-62(90-47(3)102)68(113)75(56(42-98)126-82)130-87-74(119)81(67(112)55(41-97)125-87)135-89(88(120)121)37-51(105)61(93-60(108)45-101)79(134-89)64(109)52(106)38-94/h33,35,49-58,61-87,94-101,104-106,109-119H,5-32,34,36-46H2,1-4H3,(H,90,102)(H,91,103)(H,92,107)(H,93,108)(H,120,121)/b35-33+/t49-,50+,51?,52+,53?,54?,55?,56?,57?,58?,61+,62?,63?,64+,65-,66-,67-,68+,69+,70+,71?,72?,73?,74?,75+,76-,77+,78+,79?,80-,81-,82-,83-,84+,85-,86-,87-,89-/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)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph