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

aparatoxin intermediate-[non-ribosomal peptide synthase AprH]

Properties Image MNX_ID MNXM1562720 reference metacycM:Apratoxin-Intermediate-AprH formula C30H52N4O11PS2*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)C1CSC([C@@H](C)[C@@H](O)C[C@H](C)C[C@H](O)C(C)(C)C)=N1)C([*])=O MNX internals InChI (mnx) InChI=1/C32H59N4O11PS2/c1-19(15-25(39)31(4,5)6)14-24(38)20(2)29-36-23(17-50-29)30(43)49-13-12-34-26(40)10-11-35-28(42)27(41)32(7,8)18-47-48(44,45)46-16-22(33-9)21(3)37/h19-20,22-25,27,33,38-39,41H,10-18H2,1-9H3,(H,34,40)(H,35,42)(H,44,45)/t19-,20-,22-,23?,24-,25-,27-/m0/s1/i3+1,9+1 SMILES (mnx) [CH3:1][C@H:18]([CH2:12][CH:22]([C@@H:19]([CH3:2])[C:27]1=[N:34][CH:21]([C:28](=[O:41])[O:47][CH2:11][CH2:10][CH2:32][C:24]([CH2:8][13CH2:9][NH:33][C:26]([C@H:25]([C:30]([CH3:6])([CH3:7])[CH2:17][O:45][O:46]([OH:42])(=[O:43])[O:44][CH2:15][C@@H:20]([C:14](=[NH:35])[SH:49])[CH2:31][SH:50])[OH:39])=[O:40])=[O:38])[CH2:16][PH:48]1)[NH2:36])[CH2:13][C@H:23]([C:29]([13CH3:3])([CH3:4])[CH3:5])[OH:37]

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:Apratoxin-Intermediate-AprH metacycM:Apratoxin-Intermediate-AprH	aparatoxin intermediate-[non-ribosomal peptide synthase AprH]