NeuAcalpha2-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0)

Properties Image Occurences in reactions MNX_ID MNXM23781 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C79H143N3O31 charge 0 mass 1629.97055 reference lipidmapsM:LMSP0601AH05 InChIKey XZWBOOBGOZLXTN-OKPAVHNISA-N InChI InChI=1S/C79H143N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(93)82-50(51(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-104-75-66(99)64(97)69(56(45-86)107-75)109-76-67(100)65(98)70(57(46-87)108-76)110-77-68(101)73(63(96)55(44-85)106-77)111-74-60(81-49(4)89)72(62(95)54(43-84)105-74)113-79(78(102)103)41-52(91)59(80-48(3)88)71(112-79)61(94)53(92)42-83/h37,39,50-57,59-77,83-87,90-92,94-101H,5-36,38,40-47H2,1-4H3,(H,80,88)(H,81,89)(H,82,93)(H,102,103)/b39-37+/t50-,51+,52?,53+,54?,55?,56?,57?,59+,60?,61+,62-,63-,64+,65+,66?,67?,68?,69+,70-,71?,72+,73-,74-,75+,76-,77-,79-/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@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph