a cis,cis-delta7,25-3-oxo-C44:2-[acp]

Properties Image MNX_ID MNXM11056 reference metacycM:cis-cis-D7-25-3-oxo-C44-2-ACPs formula C58H105N3O10PS*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)CCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C60H112N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-54(65)50-57(67)75-49-48-62-56(66)46-47-63-59(69)58(68)60(3,4)52-73-74(70,71)72-51-55(61-5)53(2)64/h23-24,41-42,55,58,61,68H,6-22,25-40,43-52H2,1-5H3,(H,62,66)(H,63,69)(H,70,71)/b24-23-,42-41-/t55-,58-/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][CH2:44][CH2:45][C:54]([CH2:50][C:57](=[O:67])[S:75][CH2:49][CH2:48][N:62]=[C:56]([CH2:46][CH2:47][N:63]=[C:59]([C@@H:58]([C:60]([CH3:3])([CH3:4])[CH2:52][O:73][P:74]([OH:70])(=[O:71])[O:72][CH2:51][C@@H:55]([C:53]([13CH3:2])=[O:64])[NH:61][13CH3:5])[OH:68])[OH:69])[OH:66])=[O:65]

Parent-child relations graph

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