a trans-delta20-39-hydroxy-40-methyl-C60:1-[acp]

Properties Image MNX_ID MNXM13131 reference metacycM:trans-D20-39-OH-40-Me-C60-1-ACPs formula C74H141N3O10PS*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)CCCCCCCCCCCCCCCCCC/C=C/C(C)CCCCCCCCCCCCCCCCC(O)C(C)CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C76H148N3O10PS/c1-8-9-10-11-12-13-14-15-16-22-28-33-38-43-48-53-58-68(3)71(81)59-54-49-44-39-34-29-25-24-27-32-37-42-47-52-57-67(2)56-51-46-41-36-31-26-21-19-17-18-20-23-30-35-40-45-50-55-60-73(83)91-64-63-78-72(82)61-62-79-75(85)74(84)76(5,6)66-89-90(86,87)88-65-70(77-7)69(4)80/h51,56,67-68,70-71,74,77,81,84H,8-50,52-55,57-66H2,1-7H3,(H,78,82)(H,79,85)(H,86,87)/b56-51+/t67?,68?,70-,71?,74-/m0/s1/i4+1,7+1 SMILES (mnx) [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:22][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:58][CH:68]([CH3:3])[CH:71]([CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:25][CH2:24][CH2:27][CH2:32][CH2:37][CH2:42][CH2:47][CH2:52][CH2:57][CH:67]([CH3:2])/[CH:56]=[CH:51]/[CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH2:19][CH2:17][CH2:18][CH2:20][CH2:23][CH2:30][CH2:35][CH2:40][CH2:45][CH2:50][CH2:55][CH2:60][C:73](=[O:83])[S:91][CH2:64][CH2:63][N:78]=[C:72]([CH2:61][CH2:62][N:79]=[C:75]([C@@H:74]([C:76]([CH3:5])([CH3:6])[CH2:66][O:89][P:90]([OH:86])(=[O:87])[O:88][CH2:65][C@@H:70]([C:69]([13CH3:4])=[O:80])[NH:77][13CH3:7])[OH:84])[OH:85])[OH:82])[OH:81]

Parent-child relations graph

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