5-hydroxy-heptanoyl-[SpnB polyketide synthase]

Properties Image MNX_ID MNXM1562653 reference metacycM:5-Hydroxy-heptanoyl-SpnB formula C21H37N3O10PS*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)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C23H44N3O10PS/c1-6-17(28)8-7-9-20(30)38-13-12-25-19(29)10-11-26-22(32)21(31)23(3,4)15-36-37(33,34)35-14-18(24-5)16(2)27/h17-18,21,24,28,31H,6-15H2,1-5H3,(H,25,29)(H,26,32)(H,33,34)/t17?,18-,21-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][CH:17]([CH2:8][CH2:7][CH2:9][C:20](=[O:30])[S:38][CH2:13][CH2:12][N:25]=[C:19]([CH2:10][CH2:11][N:26]=[C:22]([C@@H:21]([C:23]([CH3:3])([CH3:4])[CH2:15][O:36][P:37]([OH:33])(=[O:34])[O:35][CH2:14][C@@H:18]([C:16]([13CH3:2])=[O:27])[NH:24][13CH3:5])[OH:31])[OH:32])[OH:29])[OH:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0