a cis,cis-delta5,23-3-oxo-C42:2-[acp]

Properties Image MNX_ID MNXM11050 reference metacycM:cis-cis-D5-23-3-oxo-C42-2-ACPs formula C56H101N3O10PS*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)CC(=O)C/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C58H108N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-52(63)48-55(65)73-47-46-60-54(64)44-45-61-57(67)56(66)58(3,4)50-71-72(68,69)70-49-53(59-5)51(2)62/h23-24,41-42,53,56,59,66H,6-22,25-40,43-50H2,1-5H3,(H,60,64)(H,61,67)(H,68,69)/b24-23-,42-41-/t53-,56-/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][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]/[CH:41]=[CH:42]\[CH2:43][C:52]([CH2:48][C:55](=[O:65])[S:73][CH2:47][CH2:46][N:60]=[C:54]([CH2:44][CH2:45][N:61]=[C:57]([C@@H:56]([C:58]([CH3:3])([CH3:4])[CH2:50][O:71][P:72]([OH:68])(=[O:69])[O:70][CH2:49][C@@H:53]([C:51]([13CH3:2])=[O:62])[NH:59][13CH3:5])[OH:66])[OH:67])[OH:64])=[O:63]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0