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

(2S,5S,6S,7S,8E)-9-[(3R,4R)-3,4-dihydroxycyclohexyl]-2-ethyl-5,7-dihydroxy-6,8-dimethyl-3-oxonon-8-enoyl-[FkbB polyketide synthase]

Properties Image MNX_ID MNXM1562876 reference metacycM:FkbB-product formula C33H55N3O14PS*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](CC)C(=O)C[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@@H]1CC[C@@H](O)[C@H](O)C1)C([*])=O MNX internals InChI (mnx) InChI=1/C35H62N3O14PS/c1-8-24(28(42)17-27(41)21(3)31(45)20(2)15-23-9-10-26(40)29(43)16-23)34(48)54-14-13-37-30(44)11-12-38-33(47)32(46)35(5,6)19-52-53(49,50)51-18-25(36-7)22(4)39/h15,21,23-27,29,31-32,36,40-41,43,45-46H,8-14,16-19H2,1-7H3,(H,37,44)(H,38,47)(H,49,50)/b20-15+/t21-,23-,24-,25-,26+,27-,29+,31+,32-/m0/s1/i4+1,7+1 SMILES (mnx) [CH3:1][CH2:6][CH:23]([C:26]([CH2:15][CH:25]([C@@H:20]([CH3:3])[C@H:29](/[C:19]([CH3:2])=[CH:13]\[C@@H:21]1[13CH2:7][CH2:8][C@H:24]([NH2:38])[C@H:27]([OH:41])[CH2:14]1)[OH:43])[OH:39])=[O:40])[C:32](=[O:46])[O:52][CH2:12][CH2:11][CH2:35][C:28]([CH2:9][CH2:10][NH:36][C:31]([C@@H:30]([C:33]([13CH3:4])([CH3:5])[CH2:18][O:50][O:51]([OH:47])(=[O:48])[O:49][CH2:17][C@@H:22]([C:16](=[NH:37])[PH2:53])[CH2:34][SH:54])[OH:44])=[O:45])=[O:42]

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:FkbB-product metacycM:FkbB-product	(2S,5S,6S,7S,8E)-9-[(3R,4R)-3,4-dihydroxycyclohexyl]-2-ethyl-5,7-dihydroxy-6,8-dimethyl-3-oxonon-8-enoyl-[FkbB polyketide synthase] (2S,5S,6S,7S,8E)-9-[(3R,4R)-3,4-dihydroxycyclohexyl]-2-ethyl-5,7-dihydroxy-6,8-dimethyl-3-oxonon-8-enoyl-[FkbB PKS]