a cis,cis-delta17,35-3-oxo-C54:2-[acp]

Properties Image MNX_ID MNXM11034 reference metacycM:cis-cis-D17-35-3-oxo-C54-2-ACPs formula C68H125N3O10PS*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)CCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C70H132N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-64(75)60-67(77)85-59-58-72-66(76)56-57-73-69(79)68(78)70(3,4)62-83-84(80,81)82-61-65(71-5)63(2)74/h23-24,41-42,65,68,71,78H,6-22,25-40,43-62H2,1-5H3,(H,72,76)(H,73,79)(H,80,81)/b24-23-,42-41-/t65-,68-/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][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][C:64]([CH2:60][C:67](=[O:77])[S:85][CH2:59][CH2:58][N:72]=[C:66]([CH2:56][CH2:57][N:73]=[C:69]([C@@H:68]([C:70]([CH3:3])([CH3:4])[CH2:62][O:83][P:84]([OH:80])(=[O:81])[O:82][CH2:61][C@@H:65]([C:63]([13CH3:2])=[O:74])[NH:71][13CH3:5])[OH:78])[OH:79])[OH:76])=[O:75]

Parent-child relations graph

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