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

(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][CH2:4]/[13CH:5]=[C:15]1/[CH2:10][CH:17]([C:21](=[O:31])[O:37][CH2:9][CH2:8][CH2:24][C:18]([CH2:6][CH2:7][NH:25][C:20]([C@H:19]([C:22]([13CH3:2])([CH3:3])[CH2:14][O:35][O:36]([OH:32])(=[O:33])[O:34][CH2:13][CH:16]([C:12](=[NH:27])[PH2:38])[CH2:23][SH:39])[OH:29])=[O:30])=[NH:28])[NH:26][CH2:11]1

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