O-(S-C32-carboxyphthiodiolenoneylpantetheine-4'-phosphoryl)-L-serine residue

Properties Image MNX_ID MNXM164631 reference chebi:142236 formula C46H83N3O12PS*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)CCCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C48H90N3O12PS/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-40(53)34-41(54)29-26-25-27-37(2)44(56)38(3)47(59)65-33-32-50-43(55)30-31-51-46(58)45(57)48(5,6)36-63-64(60,61)62-35-42(49-7)39(4)52/h27,38,40-42,45,49,53-54,57H,8-26,28-36H2,1-7H3,(H,50,55)(H,51,58)(H,60,61)/b37-27+/t38?,40-,41-,42+,45+/m1/s1/i4+1,7+1 SMILES (mnx) [CH3:1][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][CH2:23][CH2:24][CH2:28][C@H:40]([CH2:34][C@@H:41]([CH2:29][CH2:26][CH2:25]/[CH:27]=[C:37](\[CH3:2])[C:44]([CH:38]([CH3:3])[C:47](=[O:59])[S:65][CH2:33][CH2:32][N:50]=[C:43]([CH2:30][CH2:31][N:51]=[C:46]([C@@H:45]([C:48]([CH3:5])([CH3:6])[CH2:36][O:63][P:64]([OH:60])(=[O:61])[O:62][CH2:35][C@@H:42]([C:39]([13CH3:4])=[O:52])[NH:49][13CH3:7])[OH:57])[OH:58])[OH:55])=[O:56])[OH:54])[OH:53]

Parent-child relations graph

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