GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM29012 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C94H168N4O42 charge 0 mass 2025.11332 reference lipidmapsM:LMSP0505BH04 InChIKey HFSWKSBCQGYXHP-LQBJQPKSSA-N InChI InChI=1S/C94H168N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-62(110)98-53(54(109)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)48-125-90-76(121)74(119)81(60(46-104)133-90)135-93-77(122)84(68(113)56(42-100)129-93)139-88-64(96-51(5)107)72(117)80(59(45-103)131-88)134-92-78(123)86(70(115)57(43-101)128-92)140-89-65(97-52(6)108)83(137-91-75(120)73(118)66(111)49(3)126-91)82(61(47-105)132-89)136-94-79(124)85(69(114)58(44-102)130-94)138-87-63(95-50(4)106)71(116)67(112)55(41-99)127-87/h37,39,49,53-61,63-94,99-105,109,111-124H,7-36,38,40-48H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,110)/b39-37+/t49?,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-,90+,91+,92-,93-,94-/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](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)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph