a cis-methoxy-C59-meroacyl-[acp]

Properties Image MNX_ID MNXM10978 reference metacycM:cis-19-CP-37-Mex-38-Me-C59-ACPs formula C73H139N3O10PS*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)CCCCCCCCCCCCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C75H146N3O10PS/c1-8-9-10-11-12-13-14-15-16-18-23-28-33-38-43-48-53-65(2)70(86-7)56-51-46-41-36-31-26-22-21-25-30-35-40-45-50-55-68-62-67(68)54-49-44-39-34-29-24-19-17-20-27-32-37-42-47-52-57-72(81)90-61-60-77-71(80)58-59-78-74(83)73(82)75(4,5)64-88-89(84,85)87-63-69(76-6)66(3)79/h65,67-70,73,76,82H,8-64H2,1-7H3,(H,77,80)(H,78,83)(H,84,85)/t65?,67-,68+,69+,70?,73+/m1/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH:65]([CH3:2])[CH:70]([CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:22][CH2:21][CH2:25][CH2:30][CH2:35][CH2:40][CH2:45][CH2:50][CH2:55][C@H:68]1[CH2:62][C@H:67]1[CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH2:17][CH2:20][CH2:27][CH2:32][CH2:37][CH2:42][CH2:47][CH2:52][CH2:57][C:72](=[O:81])[S:90][CH2:61][CH2:60][N:77]=[C:71]([CH2:58][CH2:59][N:78]=[C:74]([C@@H:73]([C:75]([CH3:4])([CH3:5])[CH2:64][O:88][P:89]([OH:84])(=[O:85])[O:87][CH2:63][C@@H:69]([C:66]([13CH3:3])=[O:79])[NH:76][13CH3:6])[OH:82])[OH:83])[OH:80])[O:86][CH3:7]

Parent-child relations graph

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