NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM23165 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C100H175N5O49 charge 0 mass 2230.13557 reference lipidmapsM:LMSP0601GB03 InChIKey DBZUOLSPOAMSBK-DVPFBVCISA-N InChI InChI=1S/C100H175N5O49/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(122)105-54(55(118)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)49-139-93-79(131)78(130)85(65(48-113)145-93)148-95-81(133)89(73(125)60(43-108)141-95)150-91-69(103-52(5)116)76(128)83(63(46-111)143-91)146-94-80(132)88(72(124)59(42-107)140-94)149-92-70(104-53(6)117)77(129)84(64(47-112)144-92)147-96-82(134)90(74(126)61(44-109)142-96)154-100(98(137)138)40-57(120)68(102-51(4)115)87(153-100)75(127)62(45-110)151-99(97(135)136)39-56(119)67(101-50(3)114)86(152-99)71(123)58(121)41-106/h35,37,54-65,67-96,106-113,118-121,123-134H,7-34,36,38-49H2,1-6H3,(H,101,114)(H,102,115)(H,103,116)(H,104,117)(H,105,122)(H,135,136)(H,137,138)/b37-35+/t54-,55+,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-,99+,100-/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@H](O)[C@H](O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]8(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O8)O7)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph