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

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0