NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM22847 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H161N5O47 charge 0 mass 2100.03619 reference lipidmapsM:LMSP0601ET01 InChIKey MYJOBIYLFOMQSE-YJAATPSYSA-N InChI InChI=1S/C93H161N5O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-51(110)50(98-62(115)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-132-85-74(123)73(122)78(61(44-105)136-85)138-86-75(124)82(68(117)56(39-100)133-86)139-84-66(97-49(6)109)72(121)77(60(43-104)135-84)137-87-76(125)83(69(118)57(40-101)134-87)145-93(90(130)131)37-54(113)65(96-48(5)108)81(144-93)71(120)59(42-103)141-92(89(128)129)36-53(112)64(95-47(4)107)80(143-92)70(119)58(41-102)140-91(88(126)127)35-52(111)63(94-46(3)106)79(142-91)67(116)55(114)38-99/h31,33,50-61,63-87,99-105,110-114,116-125H,7-30,32,34-45H2,1-6H3,(H,94,106)(H,95,107)(H,96,108)(H,97,109)(H,98,115)(H,126,127)(H,128,129)(H,130,131)/b33-31+/t50-,51+,52?,53?,54?,55+,56?,57?,58+,59+,60?,61?,63+,64+,65+,66?,67+,68-,69-,70+,71+,72+,73+,74?,75?,76?,77+,78+,79?,80?,81?,82-,83-,84-,85+,86-,87-,91+,92+,93-/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)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph