9-hydroxy-3,5,7,11,13,15-hexaoxohexadecanoyl-[PKS-acp]

Properties Image MNX_ID MNXM10571 reference metacycM:Actinorhodin-Intermediate-2 formula C30H43N3O16PS*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)CC(=O)CC(=O)CC(O)CC(=O)CC(=O)CC(C)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C32H50N3O16PS/c1-19(36)10-21(38)11-22(39)12-23(40)13-24(41)14-25(42)15-26(43)16-29(45)53-9-8-34-28(44)6-7-35-31(47)30(46)32(3,4)18-51-52(48,49)50-17-27(33-5)20(2)37/h23,27,30,33,40,46H,6-18H2,1-5H3,(H,34,44)(H,35,47)(H,48,49)/t23?,27-,30-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C:19]([CH2:10][C:21]([CH2:11][C:22]([CH2:12][CH:23]([CH2:13][C:24]([CH2:14][C:25]([CH2:15][C:26]([CH2:16][C:29](=[O:45])[S:53][CH2:9][CH2:8][N:34]=[C:28]([CH2:6][CH2:7][N:35]=[C:31]([C@@H:30]([C:32]([CH3:3])([CH3:4])[CH2:18][O:51][P:52]([OH:48])(=[O:49])[O:50][CH2:17][C@@H:27]([C:20]([13CH3:2])=[O:37])[NH:33][13CH3:5])[OH:46])[OH:47])[OH:44])=[O:43])=[O:42])=[O:41])[OH:40])=[O:39])=[O:38])=[O:36]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0