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

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) [13CH2:1]([C:14]([CH2:13][CH2:9][CH2:12][CH2:8][CH2:11][CH2:7][CH2:10][CH2:6][13CH2:5][CH2:4][CH2:3][13CH2:2][CH3:16])=[CH2:15])[CH2:22][CH2:21][NH:32][C:27]([CH2:19][CH2:20][NH:33][C:29]([C@@H:28]([C:30]([CH3:17])([CH3:18])[CH2:25][O:41][O:42]([OH:38])(=[O:39])[O:40][CH2:24][C@@H:26]([C:23](=[O:34])[PH2:43])[NH:31][SH:44])[OH:36])=[O:37])=[O:35]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Long-Chain-acyl-PpsAE metacycM:Long-Chain-acyl-PpsAE	a long-chain acyl-[(phenol)carboxyphthiodiolenone synthase]
metacyc.compound:long-chain-fatty-acyl-MAS metacycM:long-chain-fatty-acyl-MAS	a long-chain fatty acyl-[mycocerosic acid synthase]