O-(S-2-hydroxybenzoylpantetheine-4'-phosphoryl)-L-serine residue

Properties Image MNX_ID MNXM158841 reference chebi:86462 formula C21H30N3O10PS*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=C(O)C=CC=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C23H36N3O10PS/c1-15(27)17(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)16-7-5-6-8-18(16)28/h5-8,17,20,24,28,30H,9-14H2,1-4H3,(H,25,29)(H,26,31)(H,33,34)/t17-,20-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:15]([C@H:17]([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:7][CH:5]=[CH:6][CH:8]=[C:18]1[OH:28])=[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) 9 in models (compartimentalized) 0