a dimycocerosyl glycosyl phenolphthiocerol

Properties Image MNX_ID MNXM1134620 reference metacycM:PGL formula C81H148O6*5 global charge 0 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCCCCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C(=O)O[C@H](CCCCCCCCCCCCC[*]C1=CC=C(O[*])C=C1)C[C@@H](CCCC[C@H](C)[C@@H](C[*])OC)OC(=O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)CCCCCCCCCCCCC[*] MNX internals InChI (mnx) InChI=1/C86H162O6/c1-15-18-20-22-24-26-28-32-36-40-44-48-54-71(4)64-73(6)66-75(8)68-78(11)85(87)91-82(58-51-47-43-39-35-31-30-34-38-42-46-50-57-80-60-62-81(89-13)63-61-80)70-83(59-53-52-56-77(10)84(17-3)90-14)92-86(88)79(12)69-76(9)67-74(7)65-72(5)55-49-45-41-37-33-29-27-25-23-21-19-16-2/h60-63,71-79,82-84H,15-59,64-70H2,1-14H3/t71-,72-,73-,74-,75-,76-,77+,78-,79-,82-,83-,84-/m1/s1/i1+1,2+1,3+1,13+1,57+1 SMILES (mnx) [13CH3:1][CH2:15][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH2:54][C@@H:71]([CH3:4])[CH2:64][C@@H:73]([CH3:6])[CH2:66][C@@H:75]([CH3:8])[CH2:68][C@@H:78]([CH3:11])[C:85](=[O:87])[O:91][C@H:82]([CH2:58][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][13CH2:57][C:80]1=[CH:61][CH:63]=[C:81]([O:89][13CH3:13])[CH:62]=[CH:60]1)[CH2:70][C@@H:83]([CH2:59][CH2:53][CH2:52][CH2:56][C@H:77]([CH3:10])[C@@H:84]([CH2:17][13CH3:3])[O:90][CH3:14])[O:92][C:86]([C@H:79]([CH3:12])[CH2:69][C@H:76]([CH3:9])[CH2:67][C@H:74]([CH3:7])[CH2:65][C@H:72]([CH3:5])[CH2:55][CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][13CH3:2])=[O:88]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0