a trans-keto-C61-meroacyl-[acp]

Properties Image MNX_ID MNXM13083 reference metacycM:trans-20-CP-22-Me-39-keto-40-Me-C61-ACPs formula C74H139N3O10PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCC[C@H]1C[C@@H]1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C76H146N3O10PS/c1-8-9-10-11-12-13-14-15-18-24-29-34-39-44-49-54-66(3)71(81)56-51-46-41-36-31-26-22-21-23-28-33-38-43-48-53-65(2)69-62-68(69)55-50-45-40-35-30-25-19-16-17-20-27-32-37-42-47-52-57-73(83)91-61-60-78-72(82)58-59-79-75(85)74(84)76(5,6)64-89-90(86,87)88-63-70(77-7)67(4)80/h65-66,68-70,74,77,84H,8-64H2,1-7H3,(H,78,82)(H,79,85)(H,86,87)/t65?,66?,68-,69+,70-,74-/m0/s1/i4+1,7+1 SMILES (mnx) [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:24][CH2:29][CH2:34][CH2:39][CH2:44][CH2:49][CH2:54][CH:66]([CH3:3])[C:71]([CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:22][CH2:21][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH:65]([CH3:2])[C@H:69]1[CH2:62][C@@H:68]1[CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:19][CH2:16][CH2:17][CH2:20][CH2:27][CH2:32][CH2:37][CH2:42][CH2:47][CH2:52][CH2:57][C:73](=[O:83])[S:91][CH2:61][CH2:60][N:78]=[C:72]([CH2:58][CH2:59][N:79]=[C:75]([C@@H:74]([C:76]([CH3:5])([CH3:6])[CH2:64][O:89][P:90]([OH:86])(=[O:87])[O:88][CH2:63][C@@H:70]([C:67]([13CH3:4])=[O:80])[NH:77][13CH3:7])[OH:84])[OH:85])[OH:82])=[O:81]

Parent-child relations graph

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