(S)-3-hydroxy-3-methylglutaryl-[ACPI domain within CurA polyketide synthase]

Properties Image MNX_ID MNXM1562900 reference metacycM:HMG-CurA-ACPI-Domain formula C20H32N3O12PS*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[C@@](C)(O)CC(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C22H40N3O12PS/c1-14(26)15(23-5)12-36-38(34,35)37-13-21(2,3)19(31)20(32)25-7-6-16(27)24-8-9-39-18(30)11-22(4,33)10-17(28)29/h15,19,23,31,33H,6-13H2,1-5H3,(H,24,27)(H,25,32)(H,28,29)(H,34,35)/t15-,19-,22-/m0/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:14]([C@H:15]([CH2:12][O:36][P:38]([OH:34])(=[O:35])[O:37][CH2:13][C:21]([CH3:2])([CH3:3])[C@H:19]([C:20](=[N:25][CH2:7][CH2:6][C:16](=[N:24][CH2:8][CH2:9][S:39][C:18]([CH2:11][C@:22]([CH3:4])([CH2:10][C:17](=[O:28])[OH:29])[OH:33])=[O:30])[OH:27])[OH:32])[OH:31])[NH:23][13CH3:5])=[O:26]

Parent-child relations graph

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