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

myristoyl-D-asparaginyl-butan-2-aminyl-acetyl-[ClbB polyketide synthase]

Properties Image MNX_ID MNXM1134025 reference metacycM:C14-Asn-Butan-2-aminyl-Acet-ClbB-PKS formula C37H66N6O12PS*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[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)CCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C39H73N6O12PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-34(49)45-30(25-32(40)47)37(52)44-28(2)19-20-35(50)59-24-23-42-33(48)21-22-43-38(53)36(51)39(4,5)27-57-58(54,55)56-26-31(41-6)29(3)46/h28,30-31,36,41,51H,7-27H2,1-6H3,(H2,40,47)(H,42,48)(H,43,53)(H,44,52)(H,45,49)(H,54,55)/t28-,30+,31-,36-/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:32]([NH:43][C@H:29]([CH2:23][C:30]([CH3:39])=[NH:45])[C:35]([NH:42][C@@H:27]([CH3:2])[CH2:17][CH2:18][C:33](=[O:48])[O:57][CH2:22][CH2:21][NH:40][C:31]([CH2:19][CH2:20][NH:41][C:36]([C@@H:34]([C:37]([13CH3:3])([CH3:4])[CH2:26][O:55][O:56]([OH:52])(=[O:53])[O:54][CH2:25][C@@H:28]([C:24](=[NH:44])[PH2:58])[CH2:38][SH:59])[OH:49])=[O:51])=[O:46])=[O:50])=[O:47]

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-Acet-ClbB-PKS metacycM:C14-Asn-Butan-2-aminyl-Acet-ClbB-PKS	myristoyl-D-asparaginyl-butan-2-aminyl-acetyl-[ClbB polyketide synthase]