NeuAcalpha2-6Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM24035 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C99H174N4O45 charge 0 mass 2139.14501 reference lipidmapsM:LMSP0601EX07 InChIKey NFCMYFMSBMNDBH-GEHATHKZSA-N InChI InChI=1S/C99H174N4O45/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-66(116)103-56(57(113)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)50-133-93-81(128)78(125)85(63(48-108)140-93)143-96-82(129)90(74(121)60(45-105)136-96)147-92-69(102-55(6)112)88(145-94-79(126)76(123)70(117)52(3)135-94)86(64(49-109)139-92)144-97-83(130)89(73(120)61(46-106)137-97)146-91-68(101-54(5)111)75(122)84(62(47-107)138-91)142-95-80(127)77(124)72(119)65(141-95)51-134-99(98(131)132)43-58(114)67(100-53(4)110)87(148-99)71(118)59(115)44-104/h21-22,39,41,52,56-65,67-97,104-109,113-115,117-130H,7-20,23-38,40,42-51H2,1-6H3,(H,100,110)(H,101,111)(H,102,112)(H,103,116)(H,131,132)/b22-21-,41-39+/t52?,56-,57+,58?,59+,60?,61?,62?,63?,64?,65?,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-,99+/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=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@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph