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

(2S)-1-(2-amino-3,5-dihydroxy-4-methylbenzoyl)-4-propylidenepyrrolidine-2-carboxy-[SibD non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1562930 reference metacycM:Intermediate-SibD formula C30H43N5O12PS*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)CN1C(=O)c1cc(O)c(C)c(O)c1N)C([*])=O MNX internals InChI (mnx) InChI=1/C32H50N5O12PS/c1-7-8-20-13-23(37(15-20)30(44)21-14-24(39)18(2)27(41)26(21)33)31(45)51-12-11-35-25(40)9-10-36-29(43)28(42)32(4,5)17-49-50(46,47)48-16-22(34-6)19(3)38/h8,14,22-23,28,34,39,41-42H,7,9-13,15-17,33H2,1-6H3,(H,35,40)(H,36,43)(H,46,47)/b20-8-/t22-,23-,28-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:5]/[13CH:6]=[C:18]1\[CH2:11][C@H:21]([C:29](=[O:43])[O:49][CH2:10][CH2:9][NH:33][C:23]([CH2:7][CH2:8][NH:34][C:27]([C@@H:26]([C:30]([13CH3:3])([CH3:4])[CH2:16][O:47][O:48]([OH:44])(=[O:45])[O:46][CH2:15][CH:19]([C:14](=[NH:36])[PH2:50])[CH2:31][SH:51])[OH:40])=[O:41])=[O:38])[N:35]([C:28]([c:20]2[cH:12][c:22]([NH2:37])[c:17]([CH3:2])[c:25]([OH:39])[c:24]2[CH3:32])=[O:42])[CH2:13]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:Intermediate-SibD metacycM:Intermediate-SibD	(2S)-1-(2-amino-3,5-dihydroxy-4-methylbenzoyl)-4-propylidenepyrrolidine-2-carboxy-[SibD non-ribosomal peptide synthase]