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

(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:19]([CH3:2])([CH2:12][O:35][O:36]([OH:32])(=[O:33])[O:34][CH2:11][C@@H:13]([C:10](=[NH:24])[PH2:38])[CH2:21][SH:39])[C@@H:17]([C:18]([NH:23][13CH2:5][CH2:4][C:14]([CH2:22][CH2:6][CH2:7][O:37][C:16]([CH2:9][C@@:20]([CH3:3])([CH2:8][C:15](=[O:26])[OH:27])[OH:31])=[O:28])=[NH:25])=[O:30])[OH:29]

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:HMG-CurA-ACPI-Domain metacycM:HMG-CurA-ACPI-Domain	(S)-3-hydroxy-3-methylglutaryl-[ACPI domain within CurA polyketide synthase]