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

3-acetyl-(5R,7R,8R)-5,7,8-trihydroxynon-2-enoyl-[BryA polyketide synthase]

Properties Image MNX_ID MNXM743750 reference metacycM:3-Ac-Tri-OH-Nonenoyl-BryA-PKS formula C25H40N3O14PS*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(\CC(=O)[O-])C[C@H](O)C[C@@H](O)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C27H48N3O14PS/c1-16(31)20(28-5)14-43-45(41,42)44-15-27(3,4)25(39)26(40)30-7-6-22(35)29-8-9-46-24(38)12-18(11-23(36)37)10-19(33)13-21(34)17(2)32/h12,17,19-21,25,28,32-34,39H,6-11,13-15H2,1-5H3,(H,29,35)(H,30,40)(H,36,37)(H,41,42)/b18-12-/t17-,19+,20+,21-,25+/m1/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C@H:15]([C@H:19]([CH2:11][C@H:18]([CH2:8]/[C:16]([CH2:9][C:21](=[O:34])[OH:35])=[CH:10]\[C:22](=[O:36])[O:44][CH2:7][CH2:6][CH2:27][C:20]([CH2:4][13CH2:5][NH:28][C:24]([C@H:23]([C:25]([CH3:2])([CH3:3])[CH2:14][O:42][O:43]([OH:39])(=[O:40])[O:41][CH2:13][C@@H:17]([C:12](=[NH:29])[PH2:45])[CH2:26][SH:46])[OH:37])=[O:38])=[O:33])[OH:31])[OH:32])[NH2:30]

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:3-Ac-Tri-OH-Nonenoyl-BryA-PKS metacycM:3-Ac-Tri-OH-Nonenoyl-BryA-PKS	3-acetyl-(5R,7R,8R)-5,7,8-trihydroxynon-2-enoyl-[BryA polyketide synthase]