Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM29250 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C95H168N4O41 charge 0 mass 2021.1184 reference lipidmapsM:LMSP0601BB08 InChIKey MBUANEQTXGLJKD-XOTSZLLPSA-N InChI InChI=1S/C95H168N4O41/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-66(113)99-56(57(110)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-127-90-78(122)75(119)82(63(49-104)131-90)135-92-79(123)76(120)81(64(50-105)132-92)134-88-68(97-54(4)108)85(73(117)61(47-102)128-88)138-93-80(124)87(140-95(94(125)126)44-58(111)67(96-53(3)107)86(139-95)70(114)59(112)45-100)83(65(51-106)133-93)136-89-69(98-55(5)109)84(72(116)62(48-103)129-89)137-91-77(121)74(118)71(115)60(46-101)130-91/h20-21,40,42,56-65,67-93,100-106,110-112,114-124H,6-19,22-39,41,43-52H2,1-5H3,(H,96,107)(H,97,108)(H,98,109)(H,99,113)(H,125,126)/b21-20-,42-40+/t56-,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-,95-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[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](O[C@@H]4OC(CO)[C@H](O[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@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)C4O)C3NC(C)=O)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph