Galalpha1-3(NeuAcalpha2-3(GalNAcbeta1-4)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM29418 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C91H162N4O41 charge 0 mass 1967.07145 reference lipidmapsM:LMSP0601GR04 InChIKey VGHIAIKWLRBKOU-RLHRBKHSSA-N InChI InChI=1S/C91H162N4O41/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(108)95-52(53(105)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)47-123-86-75(118)73(116)79(59(45-100)128-86)132-88-76(119)82(134-87-74(117)72(115)68(111)57(43-98)126-87)69(112)61(130-88)48-124-84-65(94-51(5)104)71(114)78(58(44-99)127-84)131-89-77(120)83(80(60(46-101)129-89)133-85-64(93-50(4)103)70(113)67(110)56(42-97)125-85)136-91(90(121)122)40-54(106)63(92-49(3)102)81(135-91)66(109)55(107)41-96/h36,38,52-61,63-89,96-101,105-107,109-120H,6-35,37,39-48H2,1-5H3,(H,92,102)(H,93,103)(H,94,104)(H,95,108)(H,121,122)/b38-36+/t52-,53+,54?,55+,56?,57?,58?,59?,60?,61?,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+,88-,89-,91-/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]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)[C@H](O[C@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)C4O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph