GalNAcalpha1-3GalNAcbeta1-3(Fucalpha1-2Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0)

Properties Image Occurences in reactions MNX_ID MNXM27947 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C98H176N4O42 charge 0 mass 2081.17592 reference lipidmapsM:LMSP0502AV06 InChIKey QVVUGIBOWZLXBK-ZAKOOLKGSA-N InChI InChI=1S/C98H176N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-66(114)102-57(58(113)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)52-129-94-81(126)78(123)84(63(49-107)135-94)138-96-82(127)79(124)85(64(50-108)136-96)139-97-83(128)89(143-93-68(100-55(5)111)87(73(118)61(47-105)133-93)141-91-67(99-54(4)110)75(120)71(116)59(45-103)131-91)86(65(51-109)137-97)140-92-69(101-56(6)112)88(74(119)62(48-106)132-92)142-98-90(77(122)72(117)60(46-104)134-98)144-95-80(125)76(121)70(115)53(3)130-95/h41,43,53,57-65,67-98,103-109,113,115-128H,7-40,42,44-52H2,1-6H3,(H,99,110)(H,100,111)(H,101,112)(H,102,114)/b43-41+/t53?,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-,98-/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]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)C5O[C@H]5OC(C)[C@@H](O)C(O)[C@@H]5O)C4NC(C)=O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph