Galbeta1-3(NeuAcalpha2-6)(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM27061 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C77H137N3O35 charge 0 mass 1663.90326 reference lipidmapsM:LMSP0601DS01 InChIKey LXWMKPKCYRVGPY-OKCKGWMHSA-N InChI InChI=1S/C77H137N3O35/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-45(87)44(80-52(90)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)39-104-72-64(100)61(97)66(50(38-84)109-72)111-75-65(101)70(58(94)49(37-83)108-75)114-71-54(79-43(5)86)69(113-74-63(99)60(96)57(93)48(36-82)107-74)67(112-73-62(98)59(95)55(91)41(3)106-73)51(110-71)40-105-77(76(102)103)34-46(88)53(78-42(4)85)68(115-77)56(92)47(89)35-81/h30,32,41,44-51,53-75,81-84,87-89,91-101H,6-29,31,33-40H2,1-5H3,(H,78,85)(H,79,86)(H,80,90)(H,102,103)/b32-30+/t41?,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@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)[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)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph