Fucalpha1-3GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM24668 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C95H168N4O40 charge 0 mass 2005.12349 reference lipidmapsM:LMSP0601CZ08 InChIKey PGMCLFKSSOAJOB-BDMVLJCGSA-N InChI InChI=1S/C95H168N4O40/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-66(112)99-57(58(109)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)52-126-90-78(121)76(119)81(64(50-104)131-90)133-93-80(123)87(139-95(94(124)125)45-59(110)67(96-54(4)106)85(138-95)71(114)60(111)46-100)82(65(51-105)132-93)134-88-68(97-55(5)107)84(73(116)61(47-101)128-88)136-92-79(122)86(74(117)63(49-103)130-92)137-89-69(98-56(6)108)83(72(115)62(48-102)129-89)135-91-77(120)75(118)70(113)53(3)127-91/h21-22,41,43,53,57-65,67-93,100-105,109-111,113-123H,7-20,23-40,42,44-52H2,1-6H3,(H,96,106)(H,97,107)(H,98,108)(H,99,112)(H,124,125)/b22-21-,43-41+/t53?,57-,58+,59?,60+,61?,62?,63?,64?,65?,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-,95-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[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](O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)C3NC(C)=O)[C@H](O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph