(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][CH2:8][C@@H:24]([C:28]([CH2:17][C@@H:27]([C@H:21]([CH3:3])[C@@H:31](/[C:20]([CH3:2])=[CH:15]/[C@@H:23]1[CH2:9][CH2:10][C@@H:26]([OH:40])[C@H:29]([OH:43])[CH2:16]1)[OH:45])[OH:41])=[O:42])[C:34](=[O:48])[S:54][CH2:14][CH2:13][N:37]=[C:30]([CH2:11][CH2:12][N:38]=[C:33]([C@@H:32]([C:35]([CH3:5])([CH3:6])[CH2:19][O:52][P:53]([OH:49])(=[O:50])[O:51][CH2:18][C@@H:25]([C:22]([13CH3:4])=[O:39])[NH:36][13CH3:7])[OH:46])[OH:47])[OH:44]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0