NeuAcalpha2-6Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)

Properties Image Occurences in reactions MNX_ID MNXM22580 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C95H170N4O41 charge 0 mass 2023.13405 reference lipidmapsM:LMSP0601EH06 InChIKey BQVXMNKNFCEPSM-ZLUFQQBBSA-N InChI InChI=1S/C95H170N4O41/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(112)99-56(57(109)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)51-127-90-79(122)77(120)84(64(50-105)133-90)137-93-81(124)87(73(116)61(47-102)130-93)139-89-69(98-55(5)108)75(118)83(63(49-104)132-89)136-92-80(123)86(72(115)60(46-101)129-92)138-88-68(97-54(4)107)74(117)82(62(48-103)131-88)135-91-78(121)76(119)71(114)65(134-91)52-128-95(94(125)126)44-58(110)67(96-53(3)106)85(140-95)70(113)59(111)45-100/h40,42,56-65,67-93,100-105,109-111,113-124H,6-39,41,43-52H2,1-5H3,(H,96,106)(H,97,107)(H,98,108)(H,99,112)(H,125,126)/b42-40+/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 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]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)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph