a long-chain acyl-[(phenol)carboxyphthiodiolenone synthase]

Properties Image MNX_ID MNXM743916 reference metacycM:Long-Chain-acyl-PpsAE formula C27H48N3O9PS*3 global charge -1 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OC[C@H](N[*])C([*])=O MNX internals InChI (mnx) InChI=1/C30H58N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)44-21-20-32-26(35)18-19-33-29(38)28(37)30(3,4)23-42-43(39,40)41-22-25(31-5)24(2)34/h25,28,31,37H,6-23H2,1-5H3,(H,32,35)(H,33,38)(H,39,40)/t25-,28-/m0/s1/i1+1,2+1,5+1 SMILES (mnx) [13CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:27](=[O:36])[S:44][CH2:21][CH2:20][N:32]=[C:26]([CH2:18][CH2:19][N:33]=[C:29]([C@@H:28]([C:30]([CH3:3])([CH3:4])[CH2:23][O:42][P:43]([OH:39])(=[O:40])[O:41][CH2:22][C@@H:25]([C:24]([13CH3:2])=[O:34])[NH:31][13CH3:5])[OH:37])[OH:38])[OH:35]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0