a cis,cis-delta11,29-3-oxo-C48:2-[acp]

Properties Image MNX_ID MNXM11016 reference metacycM:cis-cis-D11-29-3-oxo-C48-2-ACPs formula C62H113N3O10PS*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)CCCCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C64H120N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-58(69)54-61(71)79-53-52-66-60(70)50-51-67-63(73)62(72)64(3,4)56-77-78(74,75)76-55-59(65-5)57(2)68/h23-24,41-42,59,62,65,72H,6-22,25-40,43-56H2,1-5H3,(H,66,70)(H,67,73)(H,74,75)/b24-23-,42-41-/t59-,62-/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][C:58]([CH2:54][C:61](=[O:71])[S:79][CH2:53][CH2:52][N:66]=[C:60]([CH2:50][CH2:51][N:67]=[C:63]([C@@H:62]([C:64]([CH3:3])([CH3:4])[CH2:56][O:77][P:78]([OH:74])(=[O:75])[O:76][CH2:55][C@@H:59]([C:57]([13CH3:2])=[O:68])[NH:65][13CH3:5])[OH:72])[OH:73])[OH:70])=[O:69]

Parent-child relations graph

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