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

myristoyl-D-asparaginyl-butan-2-aminyl-malonyl-[ClbC polyketide synthase]

Properties Image MNX_ID MNXM1134026 reference metacycM:C14-Asn-Butan-2-aminyl-Malonyl-ClbC-PKS formula C39H68N6O13PS*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)CC[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)CCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C41H75N6O13PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-36(52)47-32(26-34(42)50)39(55)46-29(2)19-20-31(49)25-37(53)62-24-23-44-35(51)21-22-45-40(56)38(54)41(4,5)28-60-61(57,58)59-27-33(43-6)30(3)48/h29,32-33,38,43,54H,7-28H2,1-6H3,(H2,42,50)(H,44,51)(H,45,56)(H,46,55)(H,47,52)(H,57,58)/t29-,32+,33-,38-/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:34]([NH:45][C@H:31]([CH2:24][C:32]([CH3:41])=[O:48])[C:37]([NH:44][C@@H:28]([CH3:2])[CH2:17][CH2:18][C:30]([CH2:23][C:35](=[O:51])[O:60][CH2:22][CH2:21][NH:42][C:33]([CH2:19][CH2:20][NH:43][C:38]([C@@H:36]([C:39]([13CH3:3])([CH3:4])[CH2:27][O:58][O:59]([OH:55])(=[O:56])[O:57][CH2:26][C@@H:29]([C:25](=[NH:46])[PH2:61])[CH2:40][SH:62])[OH:52])=[O:54])=[O:49])=[NH:47])=[O:53])=[O:50]

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-Asn-Butan-2-aminyl-Malonyl-ClbC-PKS metacycM:C14-Asn-Butan-2-aminyl-Malonyl-ClbC-PKS	myristoyl-D-asparaginyl-butan-2-aminyl-malonyl-[ClbC polyketide synthase]