Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM25202 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C86H153N3O41 charge 0 mass 1883.99795 reference lipidmapsM:LMSP0504AT01 InChIKey PMMGDGYQYLNXHS-DZEWOUQESA-N InChI InChI=1S/C86H153N3O41/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-47(98)46(89-54(99)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-115-81-69(112)66(109)73(52(39-94)123-81)124-84-70(113)77(61(104)49(36-91)118-84)129-80-56(88-45(6)97)75(74(53(40-95)122-80)126-82-67(110)63(106)57(100)42(3)116-82)127-85-71(114)76(60(103)50(37-92)119-85)128-79-55(87-44(5)96)62(105)72(51(38-93)121-79)125-86-78(65(108)59(102)48(35-90)120-86)130-83-68(111)64(107)58(101)43(4)117-83/h31,33,42-43,46-53,55-86,90-95,98,100-114H,7-30,32,34-41H2,1-6H3,(H,87,96)(H,88,97)(H,89,99)/b33-31+/t42?,43?,46-,47+,48?,49?,50?,51?,52?,53?,55?,56?,57+,58+,59-,60-,61-,62+,63?,64?,65-,66+,67-,68-,69?,70?,71?,72+,73+,74+,75+,76-,77-,78?,79-,80-,81+,82+,83+,84-,85-,86-/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(C)[C@@H](O)C(O)[C@@H]4O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph