a cis-delta19-37-methoxy-38-methyl-C57:1-[acp]

Properties Image MNX_ID MNXM147969 reference metacycM:cis-D19-37-MOH-38-Me-C57-1-ACPs formula C72H137N3O10PS*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=C\CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C74H144N3O10PS/c1-8-9-10-11-12-13-14-15-16-36-39-42-45-48-51-54-57-66(2)69(85-7)58-55-52-49-46-43-40-37-34-32-30-28-26-24-22-20-18-17-19-21-23-25-27-29-31-33-35-38-41-44-47-50-53-56-59-71(80)89-63-62-76-70(79)60-61-77-73(82)72(81)74(4,5)65-87-88(83,84)86-64-68(75-6)67(3)78/h17-18,66,68-69,72,75,81H,8-16,19-65H2,1-7H3,(H,76,79)(H,77,82)(H,83,84)/b18-17-/t66?,68-,69?,72-/m0/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][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH:66]([CH3:2])[CH:69]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20]/[CH:18]=[CH:17]\[CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:71](=[O:80])[S:89][CH2:63][CH2:62][N:76]=[C:70]([CH2:60][CH2:61][N:77]=[C:73]([C@@H:72]([C:74]([CH3:4])([CH3:5])[CH2:65][O:87][P:88]([OH:83])(=[O:84])[O:86][CH2:64][C@@H:68]([C:67]([13CH3:3])=[O:78])[NH:75][13CH3:6])[OH:81])[OH:82])[OH:79])[O:85][CH3:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0