a cis-delta19-C38:1-[acp]

Properties Image MNX_ID MNXM11086 reference metacycM:cis-delta19-C38-ACPs formula C52H97N3O9PS*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\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C54H104N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-51(60)68-45-44-56-50(59)42-43-57-53(62)52(61)54(3,4)47-66-67(63,64)65-46-49(55-5)48(2)58/h23-24,49,52,55,61H,6-22,25-47H2,1-5H3,(H,56,59)(H,57,62)(H,63,64)/b24-23-/t49-,52-/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][CH2:41][C:51](=[O:60])[S:68][CH2:45][CH2:44][N:56]=[C:50]([CH2:42][CH2:43][N:57]=[C:53]([C@@H:52]([C:54]([CH3:3])([CH3:4])[CH2:47][O:66][P:67]([OH:63])(=[O:64])[O:65][CH2:46][C@@H:49]([C:48]([13CH3:2])=[O:58])[NH:55][13CH3:5])[OH:61])[OH:62])[OH:59]

Parent-child relations graph

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