Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM26320 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C94H166N4O47 charge 0 mass 2103.07224 reference lipidmapsM:LMSP0504BA01 InChIKey QYPAQLIUNOUEIZ-XQTVVUPRSA-N InChI InChI=1S/C94H166N4O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(109)48(98-58(110)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-128-89-76(125)73(122)80(56(41-105)137-89)140-92-77(126)83(67(116)54(39-103)134-92)143-87-60(96-46(5)107)81(65(114)52(37-101)131-87)141-93-78(127)84(68(117)57(138-93)43-129-86-59(95-45(4)106)69(118)79(55(40-104)136-86)139-91-75(124)71(120)63(112)50(35-99)133-91)144-88-61(97-47(6)108)82(66(115)53(38-102)132-88)142-94-85(72(121)64(113)51(36-100)135-94)145-90-74(123)70(119)62(111)44(3)130-90/h31,33,44,48-57,59-94,99-105,109,111-127H,7-30,32,34-43H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,110)/b33-31+/t44?,48-,49+,50?,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?,78?,79+,80+,81+,82+,83-,84-,85?,86+,87-,88-,89+,90+,91-,92-,93-,94-/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](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph