O-[S-(3R-hydroxy-11Z-triacontenoylpantetheine)-4'-phosphoryl]-L-serine residue

Properties Image MNX_ID MNXM11072 reference chebi:87866 formula C44H81N3O10PS*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)C[C@H](O)CCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C46H88N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-40(51)36-43(53)61-35-34-48-42(52)32-33-49-45(55)44(54)46(3,4)38-59-60(56,57)58-37-41(47-5)39(2)50/h23-24,40-41,44,47,51,54H,6-22,25-38H2,1-5H3,(H,48,52)(H,49,55)(H,56,57)/b24-23-/t40-,41+,44+/m1/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C@H:40]([CH2:36][C:43](=[O:53])[S:61][CH2:35][CH2:34][N:48]=[C:42]([CH2:32][CH2:33][N:49]=[C:45]([C@@H:44]([C:46]([CH3:3])([CH3:4])[CH2:38][O:59][P:60]([OH:56])(=[O:57])[O:58][CH2:37][C@@H:41]([C:39]([13CH3:2])=[O:50])[NH:47][13CH3:5])[OH:54])[OH:55])[OH:52])[OH:51]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0