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

(2E)-pent-2-enoyl-[TcsA polyketide synthase]

Properties Image MNX_ID MNXM1562607 reference metacycM:2E-Pent-2-enoyl-TcsA-PKS formula C19H31N3O9PS*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=C/CC)C([*])=O MNX internals InChI (mnx) InChI=1/C21H38N3O9PS/c1-6-7-8-18(27)35-12-11-23-17(26)9-10-24-20(29)19(28)21(3,4)14-33-34(30,31)32-13-16(22-5)15(2)25/h7-8,16,19,22,28H,6,9-14H2,1-5H3,(H,23,26)(H,24,29)(H,30,31)/b8-7+/t16-,19-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:4]/[13CH:5]=[CH:6]\[C:16](=[O:25])[O:33][CH2:10][CH2:9][CH2:21][C:15]([CH2:7][CH2:8][NH:22][C:18]([C@H:17]([C:19]([13CH3:2])([CH3:3])[CH2:13][O:31][O:32]([OH:28])(=[O:29])[O:30][CH2:12][C@@H:14]([C:11](=[NH:23])[PH2:34])[CH2:20][SH:35])[OH:26])=[O:27])=[NH:24]

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:2E-Pent-2-enoyl-TcsA-PKS metacycM:2E-Pent-2-enoyl-TcsA-PKS	(2E)-pent-2-enoyl-[TcsA polyketide synthase]