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

curacin intermediate-[CurI polyketide synthase]

Properties Image MNX_ID MNXM1562683 reference metacycM:Acyl-CurI formula C28H44N4O10PS2*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@H](O)CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)C([*])=O MNX internals InChI (mnx) InChI=1/C30H51N4O10PS2/c1-19-14-23(19)29-34-21(17-47-29)8-6-7-9-22(36)15-26(38)46-13-12-32-25(37)10-11-33-28(40)27(39)30(3,4)18-44-45(41,42)43-16-24(31-5)20(2)35/h6,8,19,21-24,27,31,36,39H,7,9-18H2,1-5H3,(H,32,37)(H,33,40)(H,41,42)/b8-6-/t19-,21+,22+,23+,24-,27-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:12][C@H:22]1[C:27]1=[N:32][C@@H:20](/[CH:6]=[CH:4]\[13CH2:5][CH2:7][C@H:21]([CH2:13][C:24](=[O:36])[O:44][CH2:11][CH2:10][CH2:30][C:23]([CH2:8][CH2:9][NH:31][C:26]([C@H:25]([C:28]([13CH3:2])([CH3:3])[CH2:17][O:42][O:43]([OH:39])(=[O:40])[O:41][CH2:15][C@H:19]([C:14](=[NH:33])[SH:46])[CH2:29][SH:47])[OH:37])=[O:38])=[O:35])[NH2:34])[CH2:16][PH:45]1

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:Acyl-CurI metacycM:Acyl-CurI	curacin intermediate-[CurI polyketide synthase]