NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM28047 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C99H173N5O47 charge 0 mass 2184.13009 reference lipidmapsM:LMSP0601ET04 InChIKey NXIZBKKPECWFKC-JLBVOLCISA-N InChI InChI=1S/C99H173N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(121)104-56(57(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-138-91-80(129)79(128)84(67(50-111)142-91)144-92-81(130)88(74(123)62(45-106)139-92)145-90-72(103-55(6)115)78(127)83(66(49-110)141-90)143-93-82(131)89(75(124)63(46-107)140-93)151-99(96(136)137)43-60(119)71(102-54(5)114)87(150-99)77(126)65(48-109)147-98(95(134)135)42-59(118)70(101-53(4)113)86(149-98)76(125)64(47-108)146-97(94(132)133)41-58(117)69(100-52(3)112)85(148-97)73(122)61(120)44-105/h37,39,56-67,69-93,105-111,116-120,122-131H,7-36,38,40-51H2,1-6H3,(H,100,112)(H,101,113)(H,102,114)(H,103,115)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/b39-37+/t56-,57+,58?,59?,60?,61+,62?,63?,64+,65+,66?,67?,69+,70+,71+,72?,73+,74-,75-,76+,77+,78+,79+,80?,81?,82?,83+,84+,85?,86?,87?,88-,89-,90-,91+,92-,93-,97+,98+,99-/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@@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](CO)O[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)O6)O5)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph