(2S)-4-propylidenepyrrolidine-2-carboxy-[SibD non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1562855 reference metacycM:Dihydropyrrole-SibD formula C22H36N4O9PS*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)[C@@H]1C/C(=C/CC)CN1)C([*])=O MNX internals InChI (mnx) InChI=1/C24H43N4O9PS/c1-6-7-17-12-18(28-13-17)23(33)39-11-10-26-20(30)8-9-27-22(32)21(31)24(3,4)15-37-38(34,35)36-14-19(25-5)16(2)29/h7,18-19,21,25,28,31H,6,8-15H2,1-5H3,(H,26,30)(H,27,32)(H,34,35)/b17-7-/t18-,19-,21-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6]/[CH:7]=[C:17]1/[CH2:12][C@@H:18]([C:23](=[O:33])[S:39][CH2:11][CH2:10][N:26]=[C:20]([CH2:8][CH2:9][N:27]=[C:22]([C@@H:21]([C:24]([CH3:3])([CH3:4])[CH2:15][O:37][P:38]([OH:34])(=[O:35])[O:36][CH2:14][C@@H:19]([C:16]([13CH3:2])=[O:29])[NH:25][13CH3:5])[OH:31])[OH:32])[OH:30])[NH:28][CH2:13]1

Parent-child relations graph

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