GalNAcalpha1-3GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0)

Properties Image Occurences in reactions MNX_ID MNXM22774 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C95H169N5O41 charge 0 mass 2036.1293 reference lipidmapsM:LMSP0601CP05 InChIKey WJUVOLFDOYEQNB-OEWOMZTJSA-N InChI InChI=1S/C95H169N5O41/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-66(115)100-56(57(112)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)51-128-91-78(123)77(122)81(64(49-106)133-91)135-93-80(125)87(141-95(94(126)127)43-58(113)67(96-52(3)108)85(140-95)71(116)59(114)44-101)82(65(50-107)134-93)136-89-70(99-55(6)111)84(74(119)62(47-104)130-89)138-92-79(124)86(75(120)63(48-105)132-92)139-90-69(98-54(5)110)83(73(118)61(46-103)131-90)137-88-68(97-53(4)109)76(121)72(117)60(45-102)129-88/h39,41,56-65,67-93,101-107,112-114,116-125H,7-38,40,42-51H2,1-6H3,(H,96,108)(H,97,109)(H,98,110)(H,99,111)(H,100,115)(H,126,127)/b41-39+/t56-,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 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](O[C@H]6OC(CO)[C@H](O)[C@H](O)C6NC(C)=O)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)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph