a 3-oxo-C78-alpha-mycolate-[pks13]

Properties Image MNX_ID MNXM10088 reference metacycM:3-oxo-C78-alpha-mycolate-pks13 formula C78H149O2* global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)C(CCCCCCCCCCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C79H152O2/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-35-39-43-51-57-63-69-78(73(3)80)79(81)70-64-58-52-44-40-36-32-34-38-42-48-54-60-66-75-72-77(75)68-62-56-50-46-45-49-55-61-67-76-71-74(76)65-59-53-47-41-37-33-30-21-19-17-15-13-11-9-7-5-2/h74-78H,4-72H2,1-3H3/t74?,75?,76?,77?,78?/i3+1 SMILES (mnx) [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:35][CH2:39][CH2:43][CH2:51][CH2:57][CH2:63][CH2:69][CH:78]([C:73]([13CH3:3])=[O:80])[C:79]([CH2:70][CH2:64][CH2:58][CH2:52][CH2:44][CH2:40][CH2:36][CH2:32][CH2:34][CH2:38][CH2:42][CH2:48][CH2:54][CH2:60][CH2:66][CH:75]1[CH2:72][CH:77]1[CH2:68][CH2:62][CH2:56][CH2:50][CH2:46][CH2:45][CH2:49][CH2:55][CH2:61][CH2:67][CH:76]1[CH2:71][CH:74]1[CH2:65][CH2:59][CH2:53][CH2:47][CH2:41][CH2:37][CH2:33][CH2:30][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])=[O:81]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0