KDNalpha2-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM26288 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C77H138N2O35 charge 0 mass 1650.90801 reference lipidmapsM:LMSP0601GF02 InChIKey WRDLSAKHXRSKBJ-WEAVTSFDSA-N InChI InChI=1S/C77H138N2O35/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(89)79-44(45(86)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-103-72-62(98)60(96)65(50(39-83)108-72)109-74-63(99)68(57(93)48(37-81)105-74)112-71-53(78-43(4)85)67(111-73-61(97)59(95)54(90)42(3)104-73)66(51(40-84)107-71)110-75-64(100)70(58(94)49(38-82)106-75)114-77(76(101)102)35-46(87)55(91)69(113-77)56(92)47(88)36-80/h31,33,42,44-51,53-75,80-84,86-88,90-100H,5-30,32,34-41H2,1-4H3,(H,78,85)(H,79,89)(H,101,102)/b33-31+/t42?,44-,45+,46?,47+,48?,49?,50?,51?,53?,54+,55+,56+,57-,58-,59?,60+,61-,62?,63?,64?,65+,66+,67+,68-,69?,70-,71-,72+,73+,74-,75-,77-/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@]5(C(=O)O)CC(O)[C@@H](O)C([C@H](O)[C@H](O)CO)O5)C4O)[C@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph