NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM27088 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C95H168N4O42 charge 0 mass 2037.11332 reference lipidmapsM:LMSP0601EO08 InChIKey XTJXTKQLLOAOPB-TVFXWFKMSA-N InChI InChI=1S/C95H168N4O42/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-65(113)98-55(56(110)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)52-128-90-77(122)76(121)83(64(50-106)134-90)137-92-79(124)86(72(117)60(46-102)130-92)139-88-68(96-53(3)108)74(119)81(62(48-104)132-88)135-91-78(123)85(71(116)59(45-101)129-91)138-89-69(97-54(4)109)75(120)82(63(49-105)133-89)136-93-80(125)87(73(118)61(47-103)131-93)141-95(94(126)127)43-57(111)67(99-66(114)51-107)84(140-95)70(115)58(112)44-100/h19-20,39,41,55-64,67-93,100-107,110-112,115-125H,5-18,21-38,40,42-52H2,1-4H3,(H,96,108)(H,97,109)(H,98,113)(H,99,114)(H,126,127)/b20-19-,41-39+/t55-,56+,57?,58+,59?,60?,61?,62?,63?,64?,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-,95-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=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]4OC(CO)[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(=O)CO)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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph