NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM1107087 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C99H175N5O46 charge 0 mass 2170.15082 reference lipidmapsM:LMSP0601EY04 InChIKey JJQZPZRICOYUAA-XPSJPUEVSA-N InChI InChI=1S/C99H175N5O46/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-66(119)104-55(56(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)49-135-94-80(129)79(128)86(64(48-111)142-94)146-95-81(130)88(73(122)60(44-107)138-95)147-92-69(102-53(5)114)77(126)84(62(46-109)140-92)144-96-82(131)89(75(124)65(143-96)50-136-91-68(101-52(4)113)76(125)72(121)59(43-106)137-91)148-93-70(103-54(6)115)78(127)85(63(47-110)141-93)145-97-83(132)90(74(123)61(45-108)139-97)150-99(98(133)134)41-57(117)67(100-51(3)112)87(149-99)71(120)58(118)42-105/h37,39,55-65,67-97,105-111,116-118,120-132H,7-36,38,40-50H2,1-6H3,(H,100,112)(H,101,113)(H,102,114)(H,103,115)(H,104,119)(H,133,134)/b39-37+/t55-,56+,57?,58+,59?,60?,61?,62?,63?,64?,65?,67+,68?,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-,94+,95-,96-,97-,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]5OC(CO)[C@@H](O)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph