GalNAcbeta1-3Galalpha1-3(NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM27379 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C95H168N4O41 charge 0 mass 2021.1184 reference lipidmapsM:LMSP0601GQ08 InChIKey RATKPCMXZOZXES-PBBASWLWSA-N InChI InChI=1S/C95H168N4O41/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(112)99-56(57(109)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-127-90-78(121)77(120)83(64(50-105)133-90)136-92-80(123)86(138-91-79(122)85(72(115)61(47-102)130-91)137-89-68(97-54(4)107)75(118)71(114)60(46-101)129-89)74(117)65(134-92)52-128-88-69(98-55(5)108)76(119)82(63(49-104)132-88)135-93-81(124)87(73(116)62(48-103)131-93)140-95(94(125)126)44-58(110)67(96-53(3)106)84(139-95)70(113)59(111)45-100/h20-21,40,42,56-65,67-93,100-105,109-111,113-124H,6-19,22-39,41,43-52H2,1-5H3,(H,96,106)(H,97,107)(H,98,108)(H,99,112)(H,125,126)/b21-20-,42-40+/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 CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[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](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[C@@H]4OC(CO)[C@H](O)[C@H](O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph