KDNalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM27675 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C79H142N2O31 charge 0 mass 1614.95966 reference lipidmapsM:LMSP0601GE08 InChIKey BBZFYIPQHREYGR-WNCZXZDMSA-N InChI InChI=1S/C79H142N2O31/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-58(91)81-50(51(88)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)48-103-75-66(98)65(97)70(57(47-86)107-75)109-76-67(99)71(62(94)54(44-83)104-76)110-74-59(80-49(3)87)64(96)69(56(46-85)106-74)108-77-68(100)73(63(95)55(45-84)105-77)112-79(78(101)102)42-52(89)60(92)72(111-79)61(93)53(90)43-82/h18-19,38,40,50-57,59-77,82-86,88-90,92-100H,4-17,20-37,39,41-48H2,1-3H3,(H,80,87)(H,81,91)(H,101,102)/b19-18-,40-38+/t50-,51+,52?,53+,54?,55?,56?,57?,59?,60+,61+,62-,63-,64+,65+,66?,67?,68?,69+,70+,71-,72?,73-,74-,75+,76-,77-,79-/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](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](O)C([C@H](O)[C@H](O)CO)O5)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph