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

3-heptyl-2,4-dihydroxy-6-methylbenzoyl-[pks]

Properties Image MNX_ID MNXM1562632 reference metacycM:3-heptyl-24-dihydroxy-6-methylbenzoyl-pks formula C28H43N3O11PS*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)c1c(O)cc(O)cc1CCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C30H50N3O11PS/c1-6-7-8-9-10-11-21-16-22(35)17-24(36)26(21)29(40)46-15-14-32-25(37)12-13-33-28(39)27(38)30(3,4)19-44-45(41,42)43-18-23(31-5)20(2)34/h16-17,23,27,31,35-36,38H,6-15,18-19H2,1-5H3,(H,32,37)(H,33,39)(H,41,42)/t23-,27-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:4][13CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][c:19]1[cH:14][c:21]([NH2:33])[cH:15][c:22]([OH:34])[c:24]1[C:27](=[O:38])[O:44][CH2:13][CH2:12][CH2:30][C:23]([CH2:10][CH2:11][NH:31][C:26]([C@@H:25]([C:28]([13CH3:2])([CH3:3])[CH2:18][O:42][O:43]([OH:39])(=[O:40])[O:41][CH2:17][CH:20]([C:16](=[NH:32])[PH2:45])[CH2:29][SH:46])[OH:36])=[O:37])=[O:35]

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-heptyl-24-dihydroxy-6-methylbenzoyl-pks metacycM:3-heptyl-24-dihydroxy-6-methylbenzoyl-pks	3-heptyl-2,4-dihydroxy-6-methylbenzoyl-[pks] 3-heptyl-2,4-dihydroxy-6-methylbenzoyl-[polyketide synthase]