**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][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:38]([NH:51][C@H:34]([CH2:28][C:36]([NH2:46])=[O:55])[C:41]([NH:50][C@@H:31]([CH3:2])[CH2:19][CH2:20][C:33]([CH2:27][C:39]([NH:52][C@@:45]1([C:43](=[O:62])[S:68][CH2:26][CH2:25][NH:48][C:37]([CH2:21][CH2:24][NH:49][C:42]([C@@H:40]([C:44]([CH3:4])([CH3:5])[CH2:30][O:66][P:67]([OH:63])(=[O:64])[O:65][CH2:29][C@@H:35]([C:32]([13CH3:3])=[O:53])[NH:47][13CH3:6])[OH:59])=[O:61])=[O:56])[CH2:22][CH2:23]1)=[O:58])=[O:54])=[O:60])=[O:57]

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]