**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-acetyl-[ClbI polyketide synthase]

Properties Image MNX_ID MNXM1134030 reference metacycM:C14-N-but-mal-Cyclo-Ac-ClbI-PKS formula C45H75N7O15PS*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)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/C47H82N7O15PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-40(60)53-35(28-38(48)58)44(64)52-32(2)19-20-34(56)27-41(61)54-47(22-23-47)37(57)29-42(62)71-26-25-50-39(59)21-24-51-45(65)43(63)46(4,5)31-69-70(66,67)68-30-36(49-6)33(3)55/h32,35-36,43,49,63H,7-31H2,1-6H3,(H2,48,58)(H,50,59)(H,51,65)(H,52,64)(H,53,60)(H,54,61)(H,66,67)/t32-,35+,36-,43-/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:38]([NH:51][CH:34]([CH2:26][C:36]([CH3:47])=[O:56])[C:42]([NH:50][C@@H:31]([CH3:2])[CH2:17][CH2:18][C:33]([CH2:25][C:39]([NH:52][C@:45]1([C:35]([CH2:27][C:40](=[O:60])[O:69][CH2:24][CH2:23][NH:48][C:37]([CH2:19][CH2:22][NH:49][C:43]([C@@H:41]([C:44]([13CH3:3])([CH3:4])[CH2:30][O:67][O:68]([OH:64])(=[O:65])[O:66][CH2:29][C@@H:32]([C:28](=[NH:53])[PH2:70])[CH2:46][SH:71])[OH:61])=[O:63])=[O:57])=[O:55])[CH2:20][CH2:21]1)=[O:59])=[NH:54])=[O:62])=[O:58]

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:C14-N-but-mal-Cyclo-Ac-ClbI-PKS metacycM:C14-N-but-mal-Cyclo-Ac-ClbI-PKS	myristoyl-D-asparaginyl-butan-2-aminyl-malonyl-1-aminocyclopropane-1-carboxyl-acetyl-[ClbI polyketide synthase]