O-(S-C35-(phenol)carboxyphthiodiolenoneylpantetheine-4'-phosphoryl)-L-serine residue

Properties Image MNX_ID MNXM164642 reference chebi:142259 formula C49H81N3O13PS*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)C(=O)/C(C)=C/CCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCC1=CC=C(O)C=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C51H88N3O13PS/c1-38(23-21-22-26-44(58)35-43(57)25-20-18-16-14-12-10-8-7-9-11-13-15-17-19-24-41-27-29-42(56)30-28-41)47(60)39(2)50(63)69-34-33-53-46(59)31-32-54-49(62)48(61)51(4,5)37-67-68(64,65)66-36-45(52-6)40(3)55/h23,27-30,39,43-45,48,52,56-58,61H,7-22,24-26,31-37H2,1-6H3,(H,53,59)(H,54,62)(H,64,65)/b38-23+/t39?,43-,44-,45+,48+/m1/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[C:38](=[CH:23]\[CH2:21][CH2:22][CH2:26][C@H:44]([CH2:35][C@@H:43]([CH2:25][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:24][C:41]1=[CH:28][CH:30]=[C:42]([OH:56])[CH:29]=[CH:27]1)[OH:57])[OH:58])[C:47]([CH:39]([CH3:2])[C:50](=[O:63])[S:69][CH2:34][CH2:33][N:53]=[C:46]([CH2:31][CH2:32][N:54]=[C:49]([C@@H:48]([C:51]([CH3:4])([CH3:5])[CH2:37][O:67][P:68]([OH:64])(=[O:65])[O:66][CH2:36][C@@H:45]([C:40]([13CH3:3])=[O:55])[NH:52][13CH3:6])[OH:61])[OH:62])[OH:59])=[O:60]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0