NeuAcalpha2-3Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM23136 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C99H174N4O45 charge 0 mass 2139.14501 reference lipidmapsM:LMSP0601FM07 InChIKey HMYOUVNBSQLTET-SSYHUDPWSA-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(117)103-56(57(114)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)51-133-93-80(128)78(126)84(65(50-110)140-93)141-95-81(129)87(73(121)61(46-106)136-95)144-91-68(101-54(5)112)76(124)83(64(49-109)139-91)142-97-90(146-94-79(127)77(125)70(118)52(3)134-94)89(75(123)63(48-108)138-97)145-92-69(102-55(6)113)85(72(120)60(45-105)135-92)143-96-82(130)88(74(122)62(47-107)137-96)148-99(98(131)132)43-58(115)67(100-53(4)111)86(147-99)71(119)59(116)44-104/h21-22,39,41,52,56-65,67-97,104-110,114-116,118-130H,7-20,23-38,40,42-51H2,1-6H3,(H,100,111)(H,101,112)(H,102,113)(H,103,117)(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](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)C6O)C5NC(C)=O)C4O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph