2-carboxypentanoyl-[TcsA polyketide synthase]

Properties Image MNX_ID MNXM1562598 reference metacycM:2-Carboxypentanoyl-TcsA-PKS formula C20H32N3O11PS*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(CCC)C(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C22H40N3O11PS/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/h15-16,18,23,28H,6-13H2,1-5H3,(H,24,27)(H,25,29)(H,30,31)(H,33,34)/t15?,16-,18-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH:15]([C:20](=[O:30])[OH:31])[C:21](=[O:32])[S:38][CH2:11][CH2:10][N:24]=[C:17]([CH2:8][CH2:9][N:25]=[C:19]([C@@H:18]([C:22]([CH3:3])([CH3:4])[CH2:13][O:36][P:37]([OH:33])(=[O:34])[O:35][CH2:12][C@@H:16]([C:14]([13CH3:2])=[O:26])[NH:23][13CH3:5])[OH:28])[OH:29])[OH:27]

Parent-child relations graph

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