NeuAcalpha2-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM27583 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C95H168N4O40 charge 0 mass 2005.12349 reference lipidmapsM:LMSP0601DM08 InChIKey CGGLCVBTWZORIO-HZUCJNGJSA-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(111)99-57(58(108)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)51-126-90-79(121)77(119)82(63(49-103)132-90)134-92-80(122)86(74(116)65(133-92)52-127-88-68(97-55(5)106)75(117)72(114)61(47-101)129-88)137-89-69(98-56(6)107)85(83(64(50-104)131-89)135-91-78(120)76(118)70(112)53(3)128-91)136-93-81(123)87(73(115)62(48-102)130-93)139-95(94(124)125)45-59(109)67(96-54(4)105)84(138-95)71(113)60(110)46-100/h21-22,41,43,53,57-65,67-93,100-104,108-110,112-123H,7-20,23-40,42,44-52H2,1-6H3,(H,96,105)(H,97,106)(H,98,107)(H,99,111)(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]3OC(CO)[C@@H](O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)[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)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph