GalNAcalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM25041 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C80H145N3O33 charge 0 mass 1675.97603 reference lipidmapsM:LMSP0502BE04 InChIKey WWYDYCPSHVSWQR-ABLYPBFGSA-N InChI InChI=1S/C80H145N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(93)83-48(49(92)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-105-77-66(101)64(99)70(54(43-88)110-77)112-78-67(102)65(100)71(55(44-89)111-78)113-79-68(103)74(62(97)52(41-86)108-79)116-76-58(82-47(4)91)72(60(95)51(40-85)107-76)114-80-69(104)73(61(96)53(42-87)109-80)115-75-57(81-46(3)90)63(98)59(94)50(39-84)106-75/h35,37,48-55,57-80,84-89,92,94-104H,5-34,36,38-45H2,1-4H3,(H,81,90)(H,82,91)(H,83,93)/b37-35+/t48-,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 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](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O[C@H]6OC(CO)[C@H](O)[C@H](O)C6NC(C)=O)C5O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph