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

2-allylmalonyl-[TcsA polyketide synthase]

Properties Image MNX_ID MNXM1562597 reference metacycM:2-Carboxypent-4-enoyl-TcsA-PKS formula C20H30N3O11PS*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(CC=C)C(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C22H38N3O11PS/c1-6-7-15(20(30)31)21(32)38-11-10-24-17(27)8-9-25-19(29)18(28)22(3,4)13-36-37(33,34)35-12-16(23-5)14(2)26/h6,15-16,18,23,28H,1,7-13H2,2-5H3,(H,24,27)(H,25,29)(H,30,31)(H,33,34)/t15?,16-,18-/m0/s1/i2+1,5+1 SMILES (mnx) [CH2:1]=[CH:4][13CH2:5][CH:14]([C:18](=[O:28])[OH:29])[C:19](=[O:30])[O:36][CH2:9][CH2:8][CH2:22][C:15]([CH2:6][CH2:7][NH:23][C:17]([CH:16]([C:20]([13CH3:2])([CH3:3])[CH2:12][O:34][O:35]([OH:31])(=[O:32])[O:33][CH2:11][CH:13]([C:10](=[NH:24])[PH2:37])[CH2:21][SH:38])[OH:26])=[O:27])=[NH:25]

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:2-Carboxypent-4-enoyl-TcsA-PKS metacycM:2-Carboxypent-4-enoyl-TcsA-PKS	2-allylmalonyl-[TcsA polyketide synthase] 2-carboxypent-4-enoyl-[TcsA polyketide synthase]