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

Properties Image Occurences in reactions MNX_ID MNXM24327 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C100H177N5O48 charge 0 mass 2216.1563 reference lipidmapsM:LMSP0504BI03 InChIKey MWDQSXNMJPDHSN-OCEZZRTNSA-N InChI InChI=1S/C100H177N5O48/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-64(119)105-53(54(118)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)47-136-96-81(132)79(130)85(62(46-113)145-96)147-98-82(133)90(75(126)60(44-111)143-98)152-94-68(104-52(6)117)88(73(124)59(43-110)140-94)150-100-84(135)91(76(127)63(146-100)48-137-92-66(102-50(4)115)86(71(122)57(41-108)138-92)148-97-80(131)78(129)70(121)56(40-107)142-97)153-95-67(103-51(5)116)87(72(123)58(42-109)141-95)149-99-83(134)89(74(125)61(45-112)144-99)151-93-65(101-49(3)114)77(128)69(120)55(39-106)139-93/h35,37,53-63,65-100,106-113,118,120-135H,7-34,36,38-48H2,1-6H3,(H,101,114)(H,102,115)(H,103,116)(H,104,117)(H,105,119)/b37-35+/t53-,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[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O)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)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph