a 1H-pyrrole-2-carbonyl-[RedO prolyl-carrier protein]

Properties Image MNX_ID MNXM1134746 reference metacycM:RedO-pyrrole-2-carboxylate formula C19H28N4O9PS*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)C1=CC=CN1)C([*])=O MNX internals InChI (mnx) InChI=1/C21H35N4O9PS/c1-14(26)16(22-4)12-33-35(31,32)34-13-21(2,3)18(28)19(29)25-9-7-17(27)24-10-11-36-20(30)15-6-5-8-23-15/h5-6,8,16,18,22-23,28H,7,9-13H2,1-4H3,(H,24,27)(H,25,29)(H,31,32)/t16-,18-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:14]([C@H:16]([CH2:12][O:33][P:35]([OH:31])(=[O:32])[O:34][CH2:13][C:21]([CH3:2])([CH3:3])[C@H:18]([C:19](=[N:25][CH2:9][CH2:7][C:17](=[N:24][CH2:10][CH2:11][S:36][C:20]([C:15]1=[CH:6][CH:5]=[CH:8][NH:23]1)=[O:30])[OH:27])[OH:29])[OH:28])[NH:22][13CH3:4])=[O:26]

Parent-child relations graph

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