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

propanoyl-[SpnA polyketide synthase]

Properties Image MNX_ID MNXM1563066 reference metacycM:Propanoyl-SpnA formula C17H29N3O9PS*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)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C19H36N3O9PS/c1-6-16(25)33-10-9-21-15(24)7-8-22-18(27)17(26)19(3,4)12-31-32(28,29)30-11-14(20-5)13(2)23/h14,17,20,26H,6-12H2,1-5H3,(H,21,24)(H,22,27)(H,28,29)/t14-,17-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:4][C:14](=[O:23])[O:31][CH2:8][CH2:7][CH2:19][C:13]([13CH2:5][CH2:6][NH:20][C:16]([C@H:15]([C:17]([13CH3:2])([CH3:3])[CH2:11][O:29][O:30]([OH:26])(=[O:27])[O:28][CH2:10][C@@H:12]([C:9](=[NH:21])[PH2:32])[CH2:18][SH:33])[OH:24])=[O:25])=[NH:22]

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:Propanoyl-SpnA metacycM:Propanoyl-SpnA	propanoyl-[SpnA polyketide synthase]