GalNAcbeta1-3(Fucalpha2-3Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM25122 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C80H143N3O37 charge 0 mass 1737.94004 reference lipidmapsM:LMSP0502BN01 InChIKey FWTPAZWZABUEDQ-YCBKOEKTSA-N InChI InChI=1S/C80H143N3O37/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-45(92)44(83-52(93)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)40-107-77-63(102)61(100)67(49(37-87)112-77)116-78-64(103)62(101)68(50(38-88)113-78)117-80-66(105)72(120-75-53(81-42(4)90)59(98)56(95)46(34-84)109-75)69(51(39-89)114-80)118-76-54(82-43(5)91)70(57(96)47(35-85)110-76)119-79-65(104)71(58(97)48(36-86)111-79)115-73-60(99)55(94)41(3)108-74(73)106/h30,32,41,44-51,53-80,84-89,92,94-106H,6-29,31,33-40H2,1-5H3,(H,81,90)(H,82,91)(H,83,93)/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-,76-,77+,78-,79-,80-/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]3OC(CO)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O[C@H]6C(O)[C@H](O)C(C)O[C@H]6O)C5O)C4NC(C)=O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph