type I B antigen(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM28121 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C80H144N2O32 charge 0 mass 1644.97022 reference lipidmapsM:LMSP0504AE07 InChIKey CNMWSAPVYBNGOM-WVNJXFQQSA-N InChI InChI=1S/C80H144N2O32/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(90)82-49(50(89)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-103-76-68(101)65(98)70(55(45-87)109-76)110-79-69(102)72(61(94)53(43-85)107-79)112-75-57(81-48(4)88)71(60(93)52(42-84)105-75)111-80-74(114-77-66(99)63(96)58(91)47(3)104-77)73(62(95)54(44-86)108-80)113-78-67(100)64(97)59(92)51(41-83)106-78/h19-20,37,39,47,49-55,57-80,83-87,89,91-102H,5-18,21-36,38,40-46H2,1-4H3,(H,81,88)(H,82,90)/b20-19-,39-37+/t47?,49-,50+,51?,52?,53?,54?,55?,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 CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@H]5OC(CO)[C@H](O)[C@H](O)C5O)C4O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph