O-(S-19-(4-hydroxyphenyl)-nonadecanoylpantetheine-4'-phosphoryl)serine residue

Properties Image MNX_ID MNXM1091426 reference chebi:133301 formula C39H65N3O10PS*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)CCCCCCCCCCCCCCCCCCC1=CC=C(O)C=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C41H72N3O10PS/c1-33(45)36(42-4)31-53-55(51,52)54-32-41(2,3)39(49)40(50)44-28-27-37(47)43-29-30-56-38(48)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-34-23-25-35(46)26-24-34/h23-26,36,39,42,46,49H,5-22,27-32H2,1-4H3,(H,43,47)(H,44,50)(H,51,52)/t36-,39-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:33]([C@H:36]([CH2:31][O:53][P:55]([OH:51])(=[O:52])[O:54][CH2:32][C:41]([CH3:2])([CH3:3])[C@H:39]([C:40](=[N:44][CH2:28][CH2:27][C:37](=[N:43][CH2:29][CH2:30][S:56][C:38]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][C:34]1=[CH:24][CH:26]=[C:35]([OH:46])[CH:25]=[CH:23]1)=[O:48])[OH:47])[OH:50])[OH:49])[NH:42][13CH3:4])=[O:45]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0