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

4-nitrobenzoyl-[spectinabilin polyketide synthase]

Properties Image MNX_ID MNXM1134061 reference metacycM:CPD-21834 formula C21H28N4O11PS*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)c1ccc([N+](=O)[O-])cc1)C([*])=O MNX internals InChI (mnx) InChI=1/C23H35N4O11PS/c1-15(28)18(24-4)13-37-39(35,36)38-14-23(2,3)20(30)21(31)26-10-9-19(29)25-11-12-40-22(32)16-5-7-17(8-6-16)27(33)34/h5-8,18,20,24,30H,9-14H2,1-4H3,(H,25,29)(H,26,31)(H,35,36)/t18-,20-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:21]([CH3:2])([CH2:13][O:36][O:37]([O-:33])(=[O:34])[O:35][CH2:12][CH:15]([C:11](=[NH:26])[PH2:39])[CH2:22][SH:40])[C@@H:18]([C:19]([NH:24][CH2:8][CH2:7][C:17]([CH2:23][CH2:9][CH2:10][O:38][C:20]([c:14]1[cH:3][cH:5][c:16]([N:25]([OH:31])=[O:32])[cH:6][13cH:4]1)=[O:30])=[NH2+:27])=[O:29])[OH:28]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:CPD-21834 metacycM:CPD-21834	4-nitrobenzoyl-[spectinabilin polyketide synthase]