O-[S-(4-hydroxybenzyl)pantetheine-4'-phosphoryl]serine residue

Properties Image MNX_ID MNXM166385 reference chebi:138321 formula C21H29N3O10PS*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=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C23H36N3O10PS/c1-15(27)18(24-4)13-35-37(33,34)36-14-23(2,3)20(30)21(31)26-10-9-19(29)25-11-12-38-22(32)16-5-7-17(28)8-6-16/h5-8,18,20,24,28,30H,9-14H2,1-4H3,(H,25,29)(H,26,31)(H,33,34)/t18-,20-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:15]([C@H:18]([CH2:13][O:35][P:37]([OH:33])(=[O:34])[O:36][CH2:14][C:23]([CH3:2])([CH3:3])[C@H:20]([C:21](=[N:26][CH2:10][CH2:9][C:19](=[N:25][CH2:11][CH2:12][S:38][C:22]([C:16]1=[CH:6][CH:8]=[C:17]([OH:28])[CH:7]=[CH:5]1)=[O:32])[OH:29])[OH:31])[OH:30])[NH:24][13CH3:4])=[O:27]

Parent-child relations graph

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