NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM29190 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C77H139N3O32 charge 0 mass 1617.93417 reference lipidmapsM:LMSP0601FF04 InChIKey LGJISSQCJJZSMQ-DTQDYFOTSA-N InChI InChI=1S/C77H139N3O32/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-55(91)79-47(48(88)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)45-103-73-64(98)63(97)68(54(43-85)107-73)109-74-65(99)70(60(94)51(40-82)104-74)110-72-58(78-46(3)87)62(96)67(53(42-84)106-72)108-75-66(100)71(61(95)52(41-83)105-75)112-77(76(101)102)38-49(89)57(80-56(92)44-86)69(111-77)59(93)50(90)39-81/h34,36,47-54,57-75,81-86,88-90,93-100H,4-33,35,37-45H2,1-3H3,(H,78,87)(H,79,91)(H,80,92)(H,101,102)/b36-34+/t47-,48+,49?,50+,51?,52?,53?,54?,57+,58?,59+,60-,61-,62+,63+,64?,65?,66?,67+,68+,69?,70-,71-,72-,73+,74-,75-,77-/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@]5(C(=O)O)CC(O)[C@@H](NC(=O)CO)C([C@H](O)[C@H](O)CO)O5)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph