O-[S-(3,4-dihydroxybenzoyl)pantetheine-4'-phosphoryl]serine residue

Properties Image MNX_ID MNXM6851 reference chebi:144963 formula C21H29N3O11PS*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)C1=CC=C(O)C(O)=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C23H36N3O11PS/c1-14(27)16(24-4)12-36-38(34,35)37-13-23(2,3)20(31)21(32)26-8-7-19(30)25-9-10-39-22(33)15-5-6-17(28)18(29)11-15/h5-6,11,16,20,24,28-29,31H,7-10,12-13H2,1-4H3,(H,25,30)(H,26,32)(H,34,35)/t16-,20-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:14]([C@H:16]([CH2:12][O:36][P:38]([OH:34])(=[O:35])[O:37][CH2:13][C:23]([CH3:2])([CH3:3])[C@H:20]([C:21](=[N:26][CH2:8][CH2:7][C:19](=[N:25][CH2:9][CH2:10][S:39][C:22]([C:15]1=[CH:11][C:18]([OH:29])=[C:17]([OH:28])[CH:6]=[CH:5]1)=[O:33])[OH:30])[OH:32])[OH:31])[NH:24][13CH3:4])=[O:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 14 in models (compartimentalized) 0