a C52-alpha-meroacyl-[acp]

Properties Image MNX_ID MNXM11011 reference metacycM:cis-cis-19-31-dicyclopropyl-C52-ACPs formula C66H123N3O9PS*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)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C68H130N3O9PS/c1-6-7-8-9-10-11-12-13-14-16-19-22-25-30-35-40-45-59-54-61(59)47-42-37-32-28-29-33-38-43-48-62-55-60(62)46-41-36-31-26-23-20-17-15-18-21-24-27-34-39-44-49-65(74)82-53-52-70-64(73)50-51-71-67(76)66(75)68(3,4)57-80-81(77,78)79-56-63(69-5)58(2)72/h59-63,66,69,75H,6-57H2,1-5H3,(H,70,73)(H,71,76)(H,77,78)/t59?,60?,61?,62?,63-,66-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:16][CH2:19][CH2:22][CH2:25][CH2:30][CH2:35][CH2:40][CH2:45][CH:59]1[CH2:54][CH:61]1[CH2:47][CH2:42][CH2:37][CH2:32][CH2:28][CH2:29][CH2:33][CH2:38][CH2:43][CH2:48][CH:62]1[CH2:55][CH:60]1[CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:23][CH2:20][CH2:17][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH2:34][CH2:39][CH2:44][CH2:49][C:65](=[O:74])[S:82][CH2:53][CH2:52][N:70]=[C:64]([CH2:50][CH2:51][N:71]=[C:67]([C@@H:66]([C:68]([CH3:3])([CH3:4])[CH2:57][O:80][P:81]([OH:77])(=[O:78])[O:79][CH2:56][C@@H:63]([C:58]([13CH3:2])=[O:72])[NH:69][13CH3:5])[OH:75])[OH:76])[OH:73]

Parent-child relations graph

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