KDN)GD1a(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM25604 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C86H153N3O39 charge 0 mass 1852.00812 reference lipidmapsM:LMSP0601CC04 InChIKey PDOOCGZRLBBRKX-CNWFKJIVSA-N InChI InChI=1S/C86H153N3O39/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-60(103)89-50(51(98)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)47-117-80-69(110)68(109)72(58(45-94)120-80)122-82-71(112)78(128-86(84(115)116)40-53(100)63(104)76(126-86)65(106)55(102)42-91)73(59(46-95)121-82)123-79-62(88-49(4)97)74(66(107)56(43-92)118-79)124-81-70(111)77(67(108)57(44-93)119-81)127-85(83(113)114)39-52(99)61(87-48(3)96)75(125-85)64(105)54(101)41-90/h35,37,50-59,61-82,90-95,98-102,104-112H,5-34,36,38-47H2,1-4H3,(H,87,96)(H,88,97)(H,89,103)(H,113,114)(H,115,116)/b37-35+/t50-,51+,52?,53?,54+,55+,56?,57?,58?,59?,61+,62?,63+,64+,65+,66-,67-,68+,69?,70?,71?,72+,73-,74+,75?,76?,77-,78+,79-,80+,81-,82-,85-,86-/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]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](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[C@]3(C(=O)O)CC(O)[C@@H](O)C([C@H](O)[C@H](O)CO)O3)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph