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

(4S)-3,5,9-trihydroxy-4-methylundecanoyl-[SpnC polyketide synthase]

Properties Image MNX_ID MNXM1562613 reference metacycM:3-5-9-Trihydroxy-4-methylundecanoyl-SpnC formula C26H47N3O12PS*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(O)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C28H54N3O12PS/c1-7-20(33)9-8-10-22(34)18(2)23(35)15-25(37)45-14-13-30-24(36)11-12-31-27(39)26(38)28(4,5)17-43-44(40,41)42-16-21(29-6)19(3)32/h18,20-23,26,29,33-35,38H,7-17H2,1-6H3,(H,30,36)(H,31,39)(H,40,41)/t18-,20?,21-,22?,23?,26-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:5][CH:19]([CH2:7][13CH2:6][CH2:8][CH:20]([C@H:17]([CH3:2])[CH:21]([CH2:13][C:23](=[O:35])[O:43][CH2:12][CH2:11][CH2:28][C:22]([CH2:9][CH2:10][NH:29][C:25]([C@H:24]([C:26]([13CH3:3])([CH3:4])[CH2:16][O:41][O:42]([OH:38])(=[O:39])[O:40][CH2:15][C@@H:18]([C:14](=[NH:30])[PH2:44])[CH2:27][SH:45])[OH:36])=[O:37])=[O:34])[OH:33])[OH:32])[NH2:31]

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:3-5-9-Trihydroxy-4-methylundecanoyl-SpnC metacycM:3-5-9-Trihydroxy-4-methylundecanoyl-SpnC	(4S)-3,5,9-trihydroxy-4-methylundecanoyl-[SpnC polyketide synthase]