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

myristoyl-D-asparaginyl-L-alanyl-[ClbB polyketide synthase]

Properties Image MNX_ID MNXM1134024 reference metacycM:C14-Asn-Ala-ClbB-PKS formula C35H62N6O12PS*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)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)CCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C37H69N6O12PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-32(47)43-28(23-30(38)45)34(49)42-26(2)36(51)57-22-21-40-31(46)19-20-41-35(50)33(48)37(4,5)25-55-56(52,53)54-24-29(39-6)27(3)44/h26,28-29,33,39,48H,7-25H2,1-6H3,(H2,38,45)(H,40,46)(H,41,50)(H,42,49)(H,43,47)(H,52,53)/t26-,28+,29-,33-/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:30]([NH:41][C@H:27]([CH2:21][C:28]([CH3:37])=[NH:43])[C:32]([NH:40][C@@H:25]([CH3:2])[C:34](=[O:49])[O:55][CH2:20][CH2:19][NH:38][C:29]([CH2:17][CH2:18][NH:39][C:33]([C@H:31]([C:35]([13CH3:3])([CH3:4])[CH2:24][O:53][O:54]([OH:50])(=[O:51])[O:52][CH2:23][C@H:26]([C:22](=[NH:42])[PH2:56])[CH2:36][SH:57])[OH:46])=[O:48])=[O:44])=[O:47])=[O:45]

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-Ala-ClbB-PKS metacycM:C14-Asn-Ala-ClbB-PKS	myristoyl-D-asparaginyl-L-alanyl-[ClbB polyketide synthase]