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

(6S)-5,7,11-trihydroxy-6-methyl-tridec-2-enoyl-[SpnD polyketide synthase]

Properties Image MNX_ID MNXM1562648 reference metacycM:5-7-11-Trihydroxy-6-methyl-tridec-2-enoyl-SpnD formula C28H49N3O12PS*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=C/CC(O)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C30H56N3O12PS/c1-7-22(35)10-8-11-24(36)20(2)25(37)12-9-13-27(39)47-17-16-32-26(38)14-15-33-29(41)28(40)30(4,5)19-45-46(42,43)44-18-23(31-6)21(3)34/h9,13,20,22-25,28,31,35-37,40H,7-8,10-12,14-19H2,1-6H3,(H,32,38)(H,33,41)(H,42,43)/b13-9+/t20-,22?,23-,24?,25?,28-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:5][CH:21]([CH2:8][13CH2:6][CH2:9][CH:22]([C@@H:19]([CH3:2])[CH:23]([CH2:10]/[CH:7]=[CH:11]/[C:25](=[O:37])[O:45][CH2:15][CH2:14][CH2:30][C:24]([CH2:12][CH2:13][NH:31][C:27]([C@H:26]([C:28]([13CH3:3])([CH3:4])[CH2:18][O:43][O:44]([OH:40])(=[O:41])[O:42][CH2:17][C@@H:20]([C:16](=[NH:32])[PH2:46])[CH2:29][SH:47])[OH:38])=[O:39])=[O:36])[OH:35])[OH:34])[NH2:33]

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:5-7-11-Trihydroxy-6-methyl-tridec-2-enoyl-SpnD metacycM:5-7-11-Trihydroxy-6-methyl-tridec-2-enoyl-SpnD	(6S)-5,7,11-trihydroxy-6-methyl-tridec-2-enoyl-[SpnD polyketide synthase]