O-(S-17-(4-hydroxyphenyl)-heptadecanoylpantetheine-4'-phosphoryl)serine residue

Properties Image MNX_ID MNXM163527 reference chebi:133300 formula C37H61N3O10PS*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)CCCCCCCCCCCCCCCCC1=CC=C(O)C=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C39H68N3O10PS/c1-31(43)34(40-4)29-51-53(49,50)52-30-39(2,3)37(47)38(48)42-26-25-35(45)41-27-28-54-36(46)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-32-21-23-33(44)24-22-32/h21-24,34,37,40,44,47H,5-20,25-30H2,1-4H3,(H,41,45)(H,42,48)(H,49,50)/t34-,37-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:31]([C@H:34]([CH2:29][O:51][P:53]([OH:49])(=[O:50])[O:52][CH2:30][C:39]([CH3:2])([CH3:3])[C@H:37]([C:38](=[N:42][CH2:26][CH2:25][C:35](=[N:41][CH2:27][CH2:28][S:54][C:36]([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][C:32]1=[CH:22][CH:24]=[C:33]([OH:44])[CH:23]=[CH:21]1)=[O:46])[OH:45])[OH:48])[OH:47])[NH:40][13CH3:4])=[O:43]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0