O-[S-(3R-hydroxy-9Z-octacosenoylpantetheine)-4'-phosphoryl]-L-serine residue

Properties Image MNX_ID MNXM11098 reference chebi:87862 formula C42H77N3O10PS*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)CCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C44H84N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-38(49)34-41(51)59-33-32-46-40(50)30-31-47-43(53)42(52)44(3,4)36-57-58(54,55)56-35-39(45-5)37(2)48/h23-24,38-39,42,45,49,52H,6-22,25-36H2,1-5H3,(H,46,50)(H,47,53)(H,54,55)/b24-23-/t38-,39+,42+/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][C@H:38]([CH2:34][C:41](=[O:51])[S:59][CH2:33][CH2:32][N:46]=[C:40]([CH2:30][CH2:31][N:47]=[C:43]([C@@H:42]([C:44]([CH3:3])([CH3:4])[CH2:36][O:57][P:58]([OH:54])(=[O:55])[O:56][CH2:35][C@@H:39]([C:37]([13CH3:2])=[O:48])[NH:45][13CH3:5])[OH:52])[OH:53])[OH:50])[OH:49]

Parent-child relations graph

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