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

(2S)-3,7-dihydroxy-2-methylnonanoyl-[SpnC polyketide synthase]

Properties Image MNX_ID MNXM1562616 reference metacycM:3-7-Dihydroxy-2-methylnonanoyl-SpnC formula C24H43N3O11PS*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)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C26H50N3O11PS/c1-7-19(31)9-8-10-21(32)17(2)25(36)42-14-13-28-22(33)11-12-29-24(35)23(34)26(4,5)16-40-41(37,38)39-15-20(27-6)18(3)30/h17,19-21,23,27,31-32,34H,7-16H2,1-6H3,(H,28,33)(H,29,35)(H,37,38)/t17-,19?,20-,21?,23-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:5][CH:18]([CH2:7][13CH2:6][CH2:8][CH:19]([C@@H:16]([CH3:2])[C:23](=[O:34])[O:40][CH2:12][CH2:11][CH2:26][C:20]([CH2:9][CH2:10][NH:27][C:22]([CH:21]([C:24]([13CH3:3])([CH3:4])[CH2:15][O:38][O:39]([OH:35])(=[O:36])[O:37][CH2:14][C@H:17]([C:13](=[NH:28])[PH2:41])[CH2:25][SH:42])[OH:32])=[O:33])=[O:31])[OH:30])[NH2:29]

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:3-7-Dihydroxy-2-methylnonanoyl-SpnC metacycM:3-7-Dihydroxy-2-methylnonanoyl-SpnC	(2S)-3,7-dihydroxy-2-methylnonanoyl-[SpnC polyketide synthase]