**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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][CH2:4][CH:16]([CH2:6][13CH2:5][CH2:7][C:18](=[O:28])[O:36][CH2:11][CH2:10][CH2:23][C:17]([CH2:8][CH2:9][NH:24][C:20]([C@H:19]([C:21]([13CH3:2])([CH3:3])[CH2:14][O:34][O:35]([OH:31])(=[O:32])[O:33][CH2:13][C@@H:15]([C:12](=[NH:25])[PH2:37])[CH2:22][SH:38])[OH:29])=[O:30])=[O:27])[NH2:26]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:5-Hydroxy-heptanoyl-SpnB metacycM:5-Hydroxy-heptanoyl-SpnB	5-hydroxy-heptanoyl-[SpnB polyketide synthase]