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

myristoyl-D-asparaginyl-butan-2-aminyl-malonyl-1-aminocyclopropane-1-carboxyl-[ClbH non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1134257 reference metacycM:Cyclopropane-ClbH-NRPS formula C43H73N7O14PS*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)C1(NC(=O)CC(=O)CC[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)CCCCCCCCCCCCC)CC1)C([*])=O MNX internals InChI (mnx) InChI=1/C45H80N7O14PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-38(57)51-34(28-36(46)55)41(60)50-31(2)19-20-33(54)27-39(58)52-45(22-23-45)43(62)68-26-25-48-37(56)21-24-49-42(61)40(59)44(4,5)30-66-67(63,64)65-29-35(47-6)32(3)53/h31,34-35,40,47,59H,7-30H2,1-6H3,(H2,46,55)(H,48,56)(H,49,61)(H,50,60)(H,51,57)(H,52,58)(H,63,64)/t31-,34+,35-,40-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:5][13CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:36]([NH:49][C@H:33]([CH2:26][C:34]([CH3:45])=[O:53])[C:39]([NH:48][C@@H:30]([CH3:2])[CH2:17][CH2:18][C:32]([CH2:25][C:37]([NH:50][C@@:43]1([C:41](=[O:60])[O:66][CH2:24][CH2:23][NH:46][C:35]([CH2:19][CH2:22][NH:47][C:40]([CH:38]([C:42]([13CH3:3])([CH3:4])[CH2:29][O:64][O:65]([OH:61])(=[O:62])[O:63][CH2:28][C@H:31]([C:27](=[NH:51])[PH2:67])[CH2:44][SH:68])[OH:57])=[O:59])=[O:54])[CH2:20][CH2:21]1)=[O:56])=[NH:52])=[O:58])=[O:55]

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:Cyclopropane-ClbH-NRPS metacycM:Cyclopropane-ClbH-NRPS	myristoyl-D-asparaginyl-butan-2-aminyl-malonyl-1-aminocyclopropane-1-carboxyl-[ClbH non-ribosomal peptide synthase]