GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM27024 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C100H177N5O47 charge 0 mass 2200.16139 reference lipidmapsM:LMSP0504BF03 InChIKey BOKXQJZKXXVGJG-DNAWUGHXSA-N InChI InChI=1S/C100H177N5O47/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-64(118)105-54(55(117)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)47-135-96-82(132)80(130)85(62(46-112)144-96)146-98-83(133)88(74(124)60(44-110)142-98)149-94-67(103-52(6)115)86(72(122)58(42-108)140-94)147-99-84(134)89(76(126)63(145-99)48-136-92-65(101-50(4)113)77(127)70(120)56(40-106)138-92)150-95-68(104-53(7)116)87(73(123)59(43-109)141-95)148-100-91(152-97-81(131)79(129)69(119)49(3)137-97)90(75(125)61(45-111)143-100)151-93-66(102-51(5)114)78(128)71(121)57(41-107)139-93/h36,38,49,54-63,65-100,106-112,117,119-134H,8-35,37,39-48H2,1-7H3,(H,101,113)(H,102,114)(H,103,115)(H,104,116)(H,105,118)/b38-36+/t49?,54-,55+,56?,57?,58?,59?,60?,61?,62?,63?,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-,95-,96+,97+,98-,99-,100-/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](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[C@H]7OC(CO)[C@H](O)[C@H](O)C7NC(C)=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)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph