a cis-delta21-39-hydroxy-40-methyl-C59:1-[acp]

Properties Image MNX_ID MNXM8436 reference metacycM:cis-D21-39-OH-40-Me-C59-1-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)CCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCC(O)C(C)CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C75H146N3O10PS/c1-7-8-9-10-11-12-13-14-15-37-40-43-46-49-52-55-58-67(2)70(80)59-56-53-50-47-44-41-38-35-33-31-29-27-25-23-21-19-17-16-18-20-22-24-26-28-30-32-34-36-39-42-45-48-51-54-57-60-72(82)90-64-63-77-71(81)61-62-78-74(84)73(83)75(4,5)66-88-89(85,86)87-65-69(76-6)68(3)79/h17,19,67,69-70,73,76,80,83H,7-16,18,20-66H2,1-6H3,(H,77,81)(H,78,84)(H,85,86)/b19-17-/t67?,69-,70?,73-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH:67]([CH3:2])[CH:70]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21]/[CH:19]=[CH:17]\[CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][C:72](=[O:82])[S:90][CH2:64][CH2:63][N:77]=[C:71]([CH2:61][CH2:62][N:78]=[C:74]([C@@H:73]([C:75]([CH3:4])([CH3:5])[CH2:66][O:88][P:89]([OH:85])(=[O:86])[O:87][CH2:65][C@@H:69]([C:68]([13CH3:3])=[O:79])[NH:76][13CH3:6])[OH:83])[OH:84])[OH:81])[OH:80]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0